A0A096N0S7_PAPAN Loading...

Regulator of G protein signaling like 1

AlphaFold DB , UniProt , Accession A0A096N0S7, Species PAPAN (Papio anubis, Olive baboon), Gene RGSL1, Length 1,077 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.9Very low65.8Low193 Ų19369.7 Ų69.795%0.95141%0.411SS*.  0129.40-77.1-175.8149.500106.9E5 I6M1-E5 WeakPolarHBondContact CA-OE2 3.48Å; M1-I6 HydrophobicContact CB-CG1 4.28Å
2S52.5Low67.2Low55 Ų5563.9 Ų63.939%0.38538%0.376SS..  trans-65.7146175172.20000109.5A4 E5 I6S2-A4 PolarHBondContact O-N 3.43Å; S2-A4 VanDerWaalsContact O-N 3.08Å; S2-A4 PolarHBondContact OG-N 3.19Å; S2-E5 PolarHBondContact N-OE2 3.47Å; S2-E5 WeakPolarHBondContact O-CA 3.39Å; S2-E5 WeakPolarHBondContact O-CB 3.45Å; S2-E5 PolarHBondContact O-N 3.14Å; S2-I6 PolarHBondContact O-N 3.07Å; S2-I6 VanDerWaalsContact O-N 3.16Å
3S56.3Low68.3Low45 Ų4564 Ų6432%0.31537%0.373SS..Hα-helixtrans-54.9-28.5175.7-54.10000112.5I6 I7S3-I6 PolarHBondContact O-N 2.73Å; S3-I7 WeakPolarHBondContact O-CG1 3.49Å; S3-I7 PolarHBondContact O-N 2.83Å
4A63.4Low69.1Low12 Ų1266.6 Ų66.610%0.09938%0.383CS..Hα-helixtrans-69.1-33.8173.600000113.5S2 G8 C77 I86S2-A4 PolarHBondContact O-N 3.43Å; S2-A4 VanDerWaalsContact O-N 3.08Å; S2-A4 PolarHBondContact OG-N 3.19Å; A4-G8 PolarHBondContact O-N 3.03Å; A4-C77 HydrophobicContact CB-CB 4.39Å; A4-C77 PolarHBondContact O-SG 3.03Å; A4-C77 VanDerWaalsContact O-SG 3.4Å; A4-I86 HydrophobicContact CB-CD1 4.14Å
5E68.8Low69.9Low110 Ų11063.2 Ų63.251%0.51436%0.363SS..Hα-helixtrans-71.2-33.6174.2-64.6172.6154.400111.3M1 S2 G8 S9M1-E5 WeakPolarHBondContact CA-OE2 3.48Å; S2-E5 PolarHBondContact N-OE2 3.47Å; S2-E5 WeakPolarHBondContact O-CA 3.39Å; S2-E5 WeakPolarHBondContact O-CB 3.45Å; S2-E5 PolarHBondContact O-N 3.14Å; E5-G8 PolarHBondContact O-N 3.16Å; E5-S9 WeakPolarHBondContact O-CB 3.36Å; E5-S9 PolarHBondContact O-N 2.88Å; E5-S9 VanDerWaalsContact O-N 3.09Å; E5-S9 PolarHBondContact O-OG 2.96Å
6I68.8Low70.7Confident83 Ų8359.4 Ų59.443%0.42634%0.341SS..Hα-helixtrans-66.4-46.6174.7-61.2173.7000109.8M1 S2 S3 G8 S9 T10M1-I6 HydrophobicContact CB-CG1 4.28Å; S2-I6 PolarHBondContact O-N 3.07Å; S2-I6 VanDerWaalsContact O-N 3.16Å; S3-I6 PolarHBondContact O-N 2.73Å; I6-G8 VanDerWaalsContact C-N 3.34Å; I6-G8 PolarHBondContact O-N 2.94Å; I6-S9 WeakPolarHBondContact CA-OG 3.12Å; I6-S9 PolarHBondContact O-N 3.42Å; I6-S9 PolarHBondContact O-OG 2.74Å; I6-T10 PolarHBondContact O-N 3.43Å; I6-T10 PolarHBondContact O-OG1 3.26Å
7I75.8Confident71Confident15 Ų1561.7 Ų61.78%0.07735%0.348CS..Hα-helixtrans-60.4-45.6174.6-68164.3000110.7S3 S9 T10 L15 F21 L73 Y85 I86S3-I7 WeakPolarHBondContact O-CG1 3.49Å; S3-I7 PolarHBondContact O-N 2.83Å; I7-S9 PolarHBondContact O-N 3.09Å; I7-S9 VanDerWaalsContact O-N 3.16Å; I7-T10 PolarHBondContact O-N 3.38Å; I7-T10 VanDerWaalsContact O-N 3.17Å; I7-L15 HydrophobicContact CG2-CD1 3.98Å; I7-F21 HydrophobicContact CG2-CE2 4.33Å; I7-L73 HydrophobicContact CG2-CD1 4.24Å; I7-Y85 HydrophobicContact CD1-CD1 3.87Å; I7-Y85 HydrophobicContact CD1-CE1 3.67Å; I7-Y85 HydrophobicContact CG1-CE1 4.38Å; I7-I86 HydrophobicContact CD1-CD1 3.85Å; I7-I86 HydrophobicContact CD1-CG1 3.42Å; I7-I86 VanDerWaalsContact CD1-CG1 3.42Å
8G68.8Low71.2Confident42 Ų4260.4 Ų60.443%0.43334%0.34SS..Hα-helixtrans-64.3-17.6179.200000114.8A4 E5 I6A4-G8 PolarHBondContact O-N 3.03Å; E5-G8 PolarHBondContact O-N 3.16Å; I6-G8 VanDerWaalsContact C-N 3.34Å; I6-G8 PolarHBondContact O-N 2.94Å
9S71.5Confident71.4Confident91 Ų9160.6 Ų60.664%0.63634%0.338SS*.Hα-helixtrans-105.6-6.4177.353.20000113.9E5 I6 I7E5-S9 WeakPolarHBondContact O-CB 3.36Å; E5-S9 PolarHBondContact O-N 2.88Å; E5-S9 VanDerWaalsContact O-N 3.09Å; E5-S9 PolarHBondContact O-OG 2.96Å; I6-S9 WeakPolarHBondContact CA-OG 3.12Å; I6-S9 PolarHBondContact O-N 3.42Å; I6-S9 PolarHBondContact O-OG 2.74Å; I7-S9 PolarHBondContact O-N 3.09Å; I7-S9 VanDerWaalsContact O-N 3.16Å
10T75.8Confident71.4Confident44 Ų4459.2 Ų59.227%0.2733%0.33SS..SBendtrans-81.7142.4177.2-57.70000110.3I6 I7 L12 I14 L15I6-T10 PolarHBondContact O-N 3.43Å; I6-T10 PolarHBondContact O-OG1 3.26Å; I7-T10 PolarHBondContact O-N 3.38Å; I7-T10 VanDerWaalsContact O-N 3.17Å; T10-L12 PolarHBondContact O-N 3.2Å; T10-I14 HydrophobicContact CG2-CB 4.38Å; T10-I14 HydrophobicContact CG2-CG2 4.49Å; T10-L15 HydrophobicContact CG2-CD1 4.47Å; T10-L15 HydrophobicContact CG2-CD2 3.93Å; T10-L15 HydrophobicContact CG2-CG 3.91Å
11N78.9Confident71.8Confident77 Ų7756.4 Ų56.441%0.41231%0.314SS..  trans-61.5129.1176.8-170.9-62.8000110.4I13 I14 L15N11-I13 PolarHBondContact O-N 2.82Å; N11-I13 VanDerWaalsContact O-N 3.15Å; N11-I13 VanDerWaalsContact OD1-CB 3.27Å; N11-I13 WeakPolarHBondContact OD1-CB 3.3Å; N11-I13 WeakPolarHBondContact OD1-CG1 3.42Å; N11-I13 PolarHBondContact OD1-N 3.38Å; N11-I14 HydrophobicContact CB-CD1 4Å; N11-I14 HydrophobicContact CB-CG1 4.21Å; N11-I14 WeakPolarHBondContact O-CB 3.47Å; N11-I14 PolarHBondContact O-N 3.37Å; N11-L15 PolarHBondContact O-N 2.91Å
12L83.6Confident73.7Confident0 Ų047.2 Ų47.20%027%0.269CS..Hα-helixtrans-62.1-28-174.2-177.263.4000112.8T10 I14 L15 L16 F21 F25 L65 L68 E69T10-L12 PolarHBondContact O-N 3.2Å; L12-I14 VanDerWaalsContact C-N 3.29Å; L12-I14 PolarHBondContact O-N 2.94Å; L12-L15 HydrophobicContact CD1-CD1 4.49Å; L12-L15 PolarHBondContact O-N 3.18Å; L12-L16 HydrophobicContact CD1-CD1 4.36Å; L12-L16 HydrophobicContact CD1-CG 4.23Å; L12-L16 HydrophobicContact CD2-CD1 4.38Å; L12-L16 HydrophobicContact CG-CD1 3.83Å; L12-L16 HydrophobicContact CG-CG 4.2Å; L12-L16 WeakPolarHBondContact O-CB 3.33Å; L12-L16 WeakPolarHBondContact O-CD1 3.39Å; L12-L16 VanDerWaalsContact O-CG 3.24Å; L12-L16 WeakPolarHBondContact O-CG 3.24Å; L12-L16 PolarHBondContact O-N 3.24Å; L12-F21 HydrophobicContact CD1-CE1 3.81Å; L12-F21 HydrophobicContact CD1-CZ 3.9Å; L12-F25 HydrophobicContact CD1-CE1 3.99Å; L12-F25 HydrophobicContact CD1-CZ 4.27Å; L12-F25 HydrophobicContact CD2-CE1 4.37Å; L12-L65 HydrophobicContact CD2-CD2 4.03Å; L12-L65 HydrophobicContact CG-CD2 4.47Å; L12-L68 HydrophobicContact CD2-CB 3.5Å; L12-L68 HydrophobicContact CD2-CD1 4.01Å; L12-L68 HydrophobicContact CD2-CG 4.41Å; L12-E69 HydrophobicContact CB-CG 3.56Å; L12-E69 WeakPolarHBondContact CB-OE1 3.4Å; L12-E69 HydrophobicContact CD2-CG 4.08Å; L12-E69 HydrophobicContact CG-CG 4.44Å; L12-E69 PolarHBondContact N-OE1 3.43Å
13I81.1Confident75.1Confident65 Ų6545.1 Ų45.133%0.33325%0.253SS..Hα-helixtrans-60.3-42.8176.3-60.6176.7000110.6N11 L16 E17 L65 M234N11-I13 PolarHBondContact O-N 2.82Å; N11-I13 VanDerWaalsContact O-N 3.15Å; N11-I13 VanDerWaalsContact OD1-CB 3.27Å; N11-I13 WeakPolarHBondContact OD1-CB 3.3Å; N11-I13 WeakPolarHBondContact OD1-CG1 3.42Å; N11-I13 PolarHBondContact OD1-N 3.38Å; I13-L16 PolarHBondContact O-N 3.17Å; I13-E17 PolarHBondContact O-N 3.4Å; I13-L65 HydrophobicContact CD1-CD1 3.97Å; I13-L65 HydrophobicContact CG1-CD1 3.72Å; I13-M234 HydrophobicContact CB-CE 4.25Å; I13-M234 HydrophobicContact CD1-CE 4.48Å; I13-M234 HydrophobicContact CG1-CE 3.86Å; I13-M234 HydrophobicContact CG2-CE 3.85Å
14I78.9Confident76.3Confident100 Ų10044.4 Ų44.451%0.51325%0.245SC..Hα-helixtrans-67.4-41-179.7-59.3173.7000109.9T10 N11 L12 L16 E17T10-I14 HydrophobicContact CG2-CB 4.38Å; T10-I14 HydrophobicContact CG2-CG2 4.49Å; N11-I14 HydrophobicContact CB-CD1 4Å; N11-I14 HydrophobicContact CB-CG1 4.21Å; N11-I14 WeakPolarHBondContact O-CB 3.47Å; N11-I14 PolarHBondContact O-N 3.37Å; L12-I14 VanDerWaalsContact C-N 3.29Å; L12-I14 PolarHBondContact O-N 2.94Å; I14-L16 VanDerWaalsContact C-N 3.33Å; I14-L16 PolarHBondContact O-N 3.48Å; I14-E17 WeakPolarHBondContact O-CB 3.44Å; I14-E17 PolarHBondContact O-N 3.27Å
15L80.9Confident77.5Confident16 Ų1643.8 Ų43.88%0.08424%0.24CC..Hα-helixtrans-65-38.2178.2-64.1172.8000111.7I7 T10 N11 L12 E17 D18 F21 L73I7-L15 HydrophobicContact CG2-CD1 3.98Å; T10-L15 HydrophobicContact CG2-CD1 4.47Å; T10-L15 HydrophobicContact CG2-CD2 3.93Å; T10-L15 HydrophobicContact CG2-CG 3.91Å; N11-L15 PolarHBondContact O-N 2.91Å; L12-L15 HydrophobicContact CD1-CD1 4.49Å; L12-L15 PolarHBondContact O-N 3.18Å; L15-E17 PolarHBondContact O-N 3.15Å; L15-D18 PolarHBondContact O-N 3.05Å; L15-D18 VanDerWaalsContact O-N 3.13Å; L15-F21 HydrophobicContact CB-CD1 3.58Å; L15-F21 HydrophobicContact CB-CD2 4.15Å; L15-F21 HydrophobicContact CB-CE1 3.45Å; L15-F21 VanDerWaalsContact CB-CE1 3.45Å; L15-F21 HydrophobicContact CB-CE2 4.03Å; L15-F21 HydrophobicContact CB-CG 3.92Å; L15-F21 HydrophobicContact CB-CZ 3.68Å; L15-F21 HydrophobicContact CD1-CE1 4.41Å; L15-F21 HydrophobicContact CD1-CE2 3.97Å; L15-F21 HydrophobicContact CD1-CZ 3.81Å; L15-F21 HydrophobicContact CG-CE2 4.42Å; L15-F21 HydrophobicContact CG-CZ 4.33Å; L15-F21 WeakPolarHBondContact O-CB 3.43Å; L15-F21 WeakPolarHBondContact O-CD1 3.42Å; L15-F21 WeakPolarHBondContact O-CG 3.4Å; L15-L73 HydrophobicContact CD1-CD1 4.42Å; L15-L73 HydrophobicContact CD1-CD2 4.49Å
16L82.8Confident78.4Confident2 Ų238.8 Ų38.81%0.0122%0.216CC..THydrogen-bonded Turntrans-72.7-8.7179.7-70.2166.6000114.6L12 I13 I14 D18 F21 F25 Y40 W47 L65L12-L16 HydrophobicContact CD1-CD1 4.36Å; L12-L16 HydrophobicContact CD1-CG 4.23Å; L12-L16 HydrophobicContact CD2-CD1 4.38Å; L12-L16 HydrophobicContact CG-CD1 3.83Å; L12-L16 HydrophobicContact CG-CG 4.2Å; L12-L16 WeakPolarHBondContact O-CB 3.33Å; L12-L16 WeakPolarHBondContact O-CD1 3.39Å; L12-L16 VanDerWaalsContact O-CG 3.24Å; L12-L16 WeakPolarHBondContact O-CG 3.24Å; L12-L16 PolarHBondContact O-N 3.24Å; I13-L16 PolarHBondContact O-N 3.17Å; I14-L16 VanDerWaalsContact C-N 3.33Å; I14-L16 PolarHBondContact O-N 3.48Å; L16-D18 VanDerWaalsContact C-N 3.27Å; L16-F21 HydrophobicContact CD2-CD1 4.27Å; L16-F21 HydrophobicContact CD2-CE1 4.07Å; L16-F21 HydrophobicContact CG-CE1 4.28Å; L16-F25 HydrophobicContact CD2-CD1 4.29Å; L16-Y40 HydrophobicContact CB-CE1 4.09Å; L16-Y40 HydrophobicContact CD2-CD1 3.88Å; L16-Y40 HydrophobicContact CD2-CE1 4.32Å; L16-Y40 HydrophobicContact CD2-CG 4.38Å; L16-W47 HydrophobicContact CD1-CH2 4.2Å; L16-W47 HydrophobicContact CD1-CZ2 3.58Å; L16-W47 HydrophobicContact CD2-CH2 4.31Å; L16-W47 HydrophobicContact CD2-CZ2 4.37Å; L16-L65 HydrophobicContact CD1-CD2 3.9Å
17E77.1Confident79.2Confident99 Ų9935 Ų3546%0.46320%0.197SC..THydrogen-bonded Turntrans-72.9-24.1168.8-67.4179.5170.600111.7I13 I14 L15I13-E17 PolarHBondContact O-N 3.4Å; I14-E17 WeakPolarHBondContact O-CB 3.44Å; I14-E17 PolarHBondContact O-N 3.27Å; L15-E17 PolarHBondContact O-N 3.15Å
18D73.5Confident79.9Confident39 Ų3934.3 Ų34.321%0.20919%0.194CC..SBendtrans-83115.7173.8173.930.6000110.8L15 L16 I20 F21 A22 Y85 Q89L15-D18 PolarHBondContact O-N 3.05Å; L15-D18 VanDerWaalsContact O-N 3.13Å; L16-D18 VanDerWaalsContact C-N 3.27Å; D18-I20 PolarHBondContact O-N 3.2Å; D18-I20 PolarHBondContact OD1-N 2.64Å; D18-I20 VanDerWaalsContact OD1-N 3.12Å; D18-F21 HydrophobicContact CB-CB 3.98Å; D18-F21 PolarHBondContact O-N 3.23Å; D18-F21 WeakPolarHBondContact OD2-CB 3.48Å; D18-F21 PolarHBondContact OD2-N 2.84Å; D18-A22 WeakPolarHBondContact O-CB 3.46Å; D18-A22 PolarHBondContact O-N 2.92Å; D18-Y85 WeakPolarHBondContact OD2-CE2 3.5Å; D18-Y85 PolarHBondContact OD2-OH 2.83Å; D18-Q89 PolarHBondContact OD2-NE2 3.45Å
19E74.5Confident81Confident63 Ų6332.3 Ų32.329%0.29417%0.173SC..Hα-helixtrans-57.4-33178.8-68.2172.2-15700112.2D23 V42 L555 K556E19-D23 PolarHBondContact O-N 3.06Å; E19-D23 VanDerWaalsContact O-N 3.11Å; E19-V42 HydrophobicContact CG-CG1 4.13Å; E19-L555 HydrophobicContact CB-CB 4.24Å; E19-K556 HydrophobicContact CG-CG 4.42Å; E19-K556 WeakPolarHBondContact OE1-CE 3.16Å; E19-K556 IonicContact OE1-NZ 2.65Å; E19-K556 WeakPolarHBondContact OE2-CE 3.43Å
20I71.4Confident81.9Confident33 Ų3328 Ų2817%0.16914%0.143CC..Hα-helixtrans-73.1-48.1179.9-62.1142.5000109.6D18 A22 D23 F24 Y85 C88 I92 L555D18-I20 PolarHBondContact O-N 3.2Å; D18-I20 PolarHBondContact OD1-N 2.64Å; D18-I20 VanDerWaalsContact OD1-N 3.12Å; I20-A22 VanDerWaalsContact C-N 3.28Å; I20-A22 PolarHBondContact O-N 3.24Å; I20-D23 PolarHBondContact O-N 3.39Å; I20-F24 HydrophobicContact CG2-CD2 3.95Å; I20-F24 HydrophobicContact CG2-CE2 3.97Å; I20-F24 WeakPolarHBondContact O-CD2 3.37Å; I20-F24 PolarHBondContact O-N 3.14Å; I20-F24 VanDerWaalsContact O-N 3.1Å; I20-Y85 HydrophobicContact CG2-CD2 4.04Å; I20-Y85 HydrophobicContact CG2-CE2 4.19Å; I20-C88 HydrophobicContact CG2-CB 4.42Å; I20-I92 HydrophobicContact CD1-CD1 3.33Å; I20-I92 HydrophobicContact CG1-CD1 4.14Å; I20-L555 HydrophobicContact CG1-CD1 4.28Å
21F81.6Confident82.5Confident0 Ų025.9 Ų25.90%013%0.13CC..Hα-helixtrans-55.7-46.6172.8177.9-95.7000111.3I7 L12 L15 L16 D18 D23 F24 F25 L73 F76 Y85I7-F21 HydrophobicContact CG2-CE2 4.33Å; L12-F21 HydrophobicContact CD1-CE1 3.81Å; L12-F21 HydrophobicContact CD1-CZ 3.9Å; L15-F21 HydrophobicContact CB-CD1 3.58Å; L15-F21 HydrophobicContact CB-CD2 4.15Å; L15-F21 HydrophobicContact CB-CE1 3.45Å; L15-F21 VanDerWaalsContact CB-CE1 3.45Å; L15-F21 HydrophobicContact CB-CE2 4.03Å; L15-F21 HydrophobicContact CB-CG 3.92Å; L15-F21 HydrophobicContact CB-CZ 3.68Å; L15-F21 HydrophobicContact CD1-CE1 4.41Å; L15-F21 HydrophobicContact CD1-CE2 3.97Å; L15-F21 HydrophobicContact CD1-CZ 3.81Å; L15-F21 HydrophobicContact CG-CE2 4.42Å; L15-F21 HydrophobicContact CG-CZ 4.33Å; L15-F21 WeakPolarHBondContact O-CB 3.43Å; L15-F21 WeakPolarHBondContact O-CD1 3.42Å; L15-F21 WeakPolarHBondContact O-CG 3.4Å; L16-F21 HydrophobicContact CD2-CD1 4.27Å; L16-F21 HydrophobicContact CD2-CE1 4.07Å; L16-F21 HydrophobicContact CG-CE1 4.28Å; D18-F21 HydrophobicContact CB-CB 3.98Å; D18-F21 PolarHBondContact O-N 3.23Å; D18-F21 WeakPolarHBondContact OD2-CB 3.48Å; D18-F21 PolarHBondContact OD2-N 2.84Å; F21-D23 VanDerWaalsContact C-N 3.27Å; F21-D23 PolarHBondContact O-N 2.97Å; F21-F24 PolarHBondContact O-N 3.01Å; F21-F25 HydrophobicContact CD1-CB 4.26Å; F21-F25 HydrophobicContact CE1-CB 3.88Å; F21-F25 HydrophobicContact CE1-CD1 4.06Å; F21-F25 AromaticContact CE1-CG 3.93Å; F21-F25 HydrophobicContact CE1-CG 3.93Å; F21-F25 HydrophobicContact CZ-CB 4.03Å; F21-F25 HydrophobicContact CZ-CD1 4.32Å; F21-F25 HydrophobicContact CZ-CD2 4.04Å; F21-F25 AromaticContact CZ-CG 3.89Å; F21-F25 HydrophobicContact CZ-CG 3.89Å; F21-F25 WeakPolarHBondContact O-CB 2.77Å; F21-F25 PolarHBondContact O-N 3.39Å; F21-L73 HydrophobicContact CZ-CD1 4.18Å; F21-F76 HydrophobicContact CD2-CE1 4.39Å; F21-F76 HydrophobicContact CE2-CD1 4.36Å; F21-F76 AromaticContact CE2-CE1 3.79Å; F21-F76 HydrophobicContact CE2-CE1 3.79Å; F21-F76 HydrophobicContact CE2-CZ 4.49Å; F21-Y85 HydrophobicContact CB-CD2 4.3Å; F21-Y85 HydrophobicContact CB-CE2 3.47Å; F21-Y85 VanDerWaalsContact CB-CE2 3.47Å; F21-Y85 HydrophobicContact CD2-CD1 4.25Å; F21-Y85 HydrophobicContact CD2-CD2 4.47Å; F21-Y85 AromaticContact CD2-CE1 3.75Å; F21-Y85 HydrophobicContact CD2-CE1 3.75Å; F21-Y85 HydrophobicContact CD2-CE2 4Å; F21-Y85 AromaticContact CD2-CZ 3.6Å; F21-Y85 HydrophobicContact CG-CE2 4.24Å
22A82Confident83Confident1 Ų122.6 Ų22.61%0.00811%0.113CC..Hα-helixtrans-57.6-39.618000000111.9D18 I20 N26 Y40 V42D18-A22 WeakPolarHBondContact O-CB 3.46Å; D18-A22 PolarHBondContact O-N 2.92Å; I20-A22 VanDerWaalsContact C-N 3.28Å; I20-A22 PolarHBondContact O-N 3.24Å; A22-N26 WeakPolarHBondContact O-CB 3.4Å; A22-N26 PolarHBondContact O-N 3.34Å; A22-N26 PolarHBondContact O-ND2 2.98Å; A22-N26 VanDerWaalsContact O-ND2 3.13Å; A22-Y40 HydrophobicContact CB-CD1 4.25Å; A22-V42 HydrophobicContact CB-CG2 3.73Å
23D81.3Confident83.3Confident10 Ų1022.6 Ų22.65%0.05311%0.113CC..Hα-helixtrans-68.7-48.6177.6-169.349.6000113E19 I20 F21 F25 N26 T27 L555 G559 S560E19-D23 PolarHBondContact O-N 3.06Å; E19-D23 VanDerWaalsContact O-N 3.11Å; I20-D23 PolarHBondContact O-N 3.39Å; F21-D23 VanDerWaalsContact C-N 3.27Å; F21-D23 PolarHBondContact O-N 2.97Å; D23-F25 VanDerWaalsContact C-N 3.3Å; D23-F25 PolarHBondContact O-N 2.95Å; D23-N26 PolarHBondContact O-N 3.21Å; D23-T27 WeakPolarHBondContact O-CB 3.41Å; D23-T27 PolarHBondContact O-N 2.82Å; D23-T27 PolarHBondContact O-OG1 3.15Å; D23-L555 HydrophobicContact CB-CD2 4.03Å; D23-G559 VanDerWaalsContact OD1-CA 3.32Å; D23-G559 WeakPolarHBondContact OD1-CA 3.34Å; D23-S560 PolarHBondContact OD1-N 3.36Å; D23-S560 WeakPolarHBondContact OD2-CB 3.4Å; D23-S560 PolarHBondContact OD2-N 3.4Å; D23-S560 PolarHBondContact OD2-OG 3.24Å
24F81.4Confident83.8Confident30 Ų3019.5 Ų19.513%0.13210%0.097CC..Hα-helixtrans-61.7-40.5176-85.6-85.9000111.8I20 F21 T27 F28 F76 L81 H84 Y85 C88I20-F24 HydrophobicContact CG2-CD2 3.95Å; I20-F24 HydrophobicContact CG2-CE2 3.97Å; I20-F24 WeakPolarHBondContact O-CD2 3.37Å; I20-F24 PolarHBondContact O-N 3.14Å; I20-F24 VanDerWaalsContact O-N 3.1Å; F21-F24 PolarHBondContact O-N 3.01Å; F24-T27 WeakPolarHBondContact O-CB 3.48Å; F24-T27 PolarHBondContact O-N 3.06Å; F24-F28 PolarHBondContact O-N 3.11Å; F24-F76 HydrophobicContact CB-CE2 4.35Å; F24-F76 HydrophobicContact CB-CZ 4.14Å; F24-L81 HydrophobicContact CD1-CB 4.3Å; F24-L81 HydrophobicContact CD1-CD2 4.1Å; F24-L81 VanDerWaalsContact CD1-O 3.27Å; F24-L81 WeakPolarHBondContact CD1-O 3.29Å; F24-L81 HydrophobicContact CE1-CD2 4.42Å; F24-H84 HydrophobicContact CE1-CB 3.78Å; F24-H84 HydrophobicContact CZ-CB 4.23Å; F24-Y85 HydrophobicContact CB-CD2 4.44Å; F24-Y85 AromaticContact CD2-CD2 3.99Å; F24-Y85 HydrophobicContact CD2-CD2 3.99Å; F24-Y85 HydrophobicContact CD2-CG 4.47Å; F24-Y85 HydrophobicContact CG-CD2 4.38Å; F24-C88 HydrophobicContact CE2-CB 4.28Å
25F88.6Confident84.2Confident0 Ų014.8 Ų14.80%07%0.073CC..Hα-helixtrans-71.6-40.4179.4-164.1-122.4000111.5L12 L16 F21 D23 T27 F28 L29 R72 L73 F76L12-F25 HydrophobicContact CD1-CE1 3.99Å; L12-F25 HydrophobicContact CD1-CZ 4.27Å; L12-F25 HydrophobicContact CD2-CE1 4.37Å; L16-F25 HydrophobicContact CD2-CD1 4.29Å; F21-F25 HydrophobicContact CD1-CB 4.26Å; F21-F25 HydrophobicContact CE1-CB 3.88Å; F21-F25 HydrophobicContact CE1-CD1 4.06Å; F21-F25 AromaticContact CE1-CG 3.93Å; F21-F25 HydrophobicContact CE1-CG 3.93Å; F21-F25 HydrophobicContact CZ-CB 4.03Å; F21-F25 HydrophobicContact CZ-CD1 4.32Å; F21-F25 HydrophobicContact CZ-CD2 4.04Å; F21-F25 AromaticContact CZ-CG 3.89Å; F21-F25 HydrophobicContact CZ-CG 3.89Å; F21-F25 WeakPolarHBondContact O-CB 2.77Å; F21-F25 PolarHBondContact O-N 3.39Å; D23-F25 VanDerWaalsContact C-N 3.3Å; D23-F25 PolarHBondContact O-N 2.95Å; F25-T27 VanDerWaalsContact C-N 3.32Å; F25-T27 PolarHBondContact O-N 2.9Å; F25-F28 HydrophobicContact CD2-CD1 4.14Å; F25-F28 HydrophobicContact CE2-CD1 4.05Å; F25-F28 HydrophobicContact CE2-CE1 4.36Å; F25-F28 WeakPolarHBondContact O-CB 3.41Å; F25-F28 PolarHBondContact O-N 3.38Å; F25-L29 HydrophobicContact CD1-CD1 3.69Å; F25-L29 HydrophobicContact CD1-CG 4.19Å; F25-L29 HydrophobicContact CE1-CD1 3.62Å; F25-L29 HydrophobicContact CE1-CD2 4.27Å; F25-L29 HydrophobicContact CE1-CG 4.1Å; F25-L29 HydrophobicContact CE2-CD2 4.48Å; F25-L29 HydrophobicContact CG-CD1 4.39Å; F25-L29 HydrophobicContact CG-CG 4.48Å; F25-L29 HydrophobicContact CZ-CD1 4.27Å; F25-L29 HydrophobicContact CZ-CD2 4.08Å; F25-L29 HydrophobicContact CZ-CG 4.29Å; F25-L29 WeakPolarHBondContact O-CB 3.45Å; F25-L29 WeakPolarHBondContact O-CG 3.48Å; F25-L29 PolarHBondContact O-N 3.31Å; F25-R72 HydrophobicContact CZ-CB 4.19Å; F25-L73 HydrophobicContact CE2-CD1 4.25Å; F25-F76 HydrophobicContact CD2-CB 4.26Å; F25-F76 HydrophobicContact CD2-CD1 4.17Å; F25-F76 HydrophobicContact CD2-CD2 4.09Å; F25-F76 HydrophobicContact CD2-CE2 4.48Å; F25-F76 AromaticContact CD2-CG 3.9Å; F25-F76 HydrophobicContact CD2-CG 3.9Å; F25-F76 HydrophobicContact CE2-CB 4.08Å; F25-F76 HydrophobicContact CE2-CG 4.22Å
26N88.4Confident84.6Confident4 Ų414 Ų142%0.0217%0.069CC..Hα-helixtrans-62.2-39171.9-81-30.8000112.2A22 D23 F28 L29 S30 F39 Y40 L561A22-N26 WeakPolarHBondContact O-CB 3.4Å; A22-N26 PolarHBondContact O-N 3.34Å; A22-N26 PolarHBondContact O-ND2 2.98Å; A22-N26 VanDerWaalsContact O-ND2 3.13Å; D23-N26 PolarHBondContact O-N 3.21Å; N26-F28 VanDerWaalsContact C-N 3.35Å; N26-L29 PolarHBondContact O-N 3.24Å; N26-S30 WeakPolarHBondContact O-CB 3.25Å; N26-S30 PolarHBondContact O-N 3.21Å; N26-S30 PolarHBondContact O-OG 3.24Å; N26-F39 HydrophobicContact CB-CD2 3.99Å; N26-F39 HydrophobicContact CB-CE2 3.99Å; N26-Y40 PolarHBondContact ND2-O 3.32Å; N26-Y40 PolarHBondContact OD1-N 2.83Å; N26-L561 VanDerWaalsContact C-CD1 3.49Å; N26-L561 HydrophobicContact CB-CD1 4.21Å; N26-L561 VanDerWaalsContact O-CD1 3.27Å; N26-L561 WeakPolarHBondContact O-CD1 3.07Å
27T85.8Confident84.9Confident4 Ų414 Ų143%0.0257%0.069CC..Hα-helixtrans-57.6-49.1173-61.40000110.4D23 F24 F25 S30 L81 S529D23-T27 WeakPolarHBondContact O-CB 3.41Å; D23-T27 PolarHBondContact O-N 2.82Å; D23-T27 PolarHBondContact O-OG1 3.15Å; F24-T27 WeakPolarHBondContact O-CB 3.48Å; F24-T27 PolarHBondContact O-N 3.06Å; F25-T27 VanDerWaalsContact C-N 3.32Å; F25-T27 PolarHBondContact O-N 2.9Å; T27-S30 PolarHBondContact O-N 3.29Å; T27-L81 HydrophobicContact CG2-CD1 4.04Å; T27-L81 HydrophobicContact CG2-CD2 4.1Å; T27-S529 PolarHBondContact O-OG 3.29Å
28F90.8Very high85.5Confident0 Ų09.3 Ų9.30%05%0.047CC..Hα-helixtrans-62.8-47175.5169.2-99.7000113.2F24 F25 N26 S30 L31 F34 R72 F75 F76 T79 L81 A380F24-F28 PolarHBondContact O-N 3.11Å; F25-F28 HydrophobicContact CD2-CD1 4.14Å; F25-F28 HydrophobicContact CE2-CD1 4.05Å; F25-F28 HydrophobicContact CE2-CE1 4.36Å; F25-F28 WeakPolarHBondContact O-CB 3.41Å; F25-F28 PolarHBondContact O-N 3.38Å; N26-F28 VanDerWaalsContact C-N 3.35Å; F28-S30 PolarHBondContact O-N 3.45Å; F28-L31 HydrophobicContact CD2-CD1 3.88Å; F28-L31 HydrophobicContact CE2-CD1 4.45Å; F28-L31 VanDerWaalsContact O-CB 3.3Å; F28-L31 WeakPolarHBondContact O-CB 3.31Å; F28-L31 WeakPolarHBondContact O-CG 3.35Å; F28-L31 PolarHBondContact O-N 3.03Å; F28-L31 VanDerWaalsContact O-N 3.07Å; F28-F34 HydrophobicContact CD1-CE2 4.35Å; F28-F34 HydrophobicContact CD2-CE2 4.32Å; F28-F34 AromaticContact CE1-CE2 3.86Å; F28-F34 HydrophobicContact CE1-CE2 3.86Å; F28-F34 AromaticContact CE1-CZ 3.96Å; F28-F34 HydrophobicContact CE1-CZ 3.96Å; F28-F34 AromaticContact CE2-CE2 3.83Å; F28-F34 HydrophobicContact CE2-CE2 3.83Å; F28-F34 AromaticContact CE2-CZ 3.81Å; F28-F34 HydrophobicContact CE2-CZ 3.81Å; F28-F34 AromaticContact CZ-CE2 3.58Å; F28-F34 HydrophobicContact CZ-CE2 3.58Å; F28-F34 AromaticContact CZ-CZ 3.37Å; F28-F34 HydrophobicContact CZ-CZ 3.37Å; F28-F34 WeakPolarHBondContact O-CE2 3.17Å; F28-R72 HydrophobicContact CE1-CB 4.12Å; F28-R72 WeakPolarHBondContact CE1-O 3.22Å; F28-F75 HydrophobicContact CE2-CB 4.38Å; F28-F75 HydrophobicContact CZ-CB 3.8Å; F28-F76 HydrophobicContact CB-CD2 3.65Å; F28-F76 HydrophobicContact CB-CE2 4.09Å; F28-F76 HydrophobicContact CD1-CB 3.94Å; F28-F76 HydrophobicContact CD1-CD2 4.02Å; F28-F76 HydrophobicContact CD1-CG 4.38Å; F28-F76 HydrophobicContact CD2-CB 4.38Å; F28-F76 HydrophobicContact CD2-CD2 4.02Å; F28-F76 HydrophobicContact CE1-CB 3.83Å; F28-F76 HydrophobicContact CE2-CB 4.28Å; F28-F76 HydrophobicContact CG-CB 4.21Å; F28-F76 AromaticContact CG-CD2 3.63Å; F28-F76 HydrophobicContact CG-CD2 3.63Å; F28-F76 HydrophobicContact CG-CG 4.38Å; F28-F76 HydrophobicContact CZ-CB 4Å; F28-T79 HydrophobicContact CD2-CG2 3.9Å; F28-T79 HydrophobicContact CE2-CG2 3.72Å; F28-L81 HydrophobicContact CB-CD1 3.94Å; F28-A380 HydrophobicContact CE2-CB 4.33Å
29L90.7Very high86.2Confident0 Ų08.4 Ų8.40%04%0.041CC..Hα-helixtrans-65-20.4-179.1-69.6176.7000113.2F25 N26 P38 W47 L68 R72F25-L29 HydrophobicContact CD1-CD1 3.69Å; F25-L29 HydrophobicContact CD1-CG 4.19Å; F25-L29 HydrophobicContact CE1-CD1 3.62Å; F25-L29 HydrophobicContact CE1-CD2 4.27Å; F25-L29 HydrophobicContact CE1-CG 4.1Å; F25-L29 HydrophobicContact CE2-CD2 4.48Å; F25-L29 HydrophobicContact CG-CD1 4.39Å; F25-L29 HydrophobicContact CG-CG 4.48Å; F25-L29 HydrophobicContact CZ-CD1 4.27Å; F25-L29 HydrophobicContact CZ-CD2 4.08Å; F25-L29 HydrophobicContact CZ-CG 4.29Å; F25-L29 WeakPolarHBondContact O-CB 3.45Å; F25-L29 WeakPolarHBondContact O-CG 3.48Å; F25-L29 PolarHBondContact O-N 3.31Å; N26-L29 PolarHBondContact O-N 3.24Å; L29-P38 WeakPolarHBondContact CB-O 3.35Å; L29-P38 HydrophobicContact CD1-CB 4.35Å; L29-W47 HydrophobicContact CD1-CH2 4.49Å; L29-W47 HydrophobicContact CD1-CZ3 4.11Å; L29-L68 HydrophobicContact CD1-CD2 4.27Å; L29-L68 HydrophobicContact CD2-CD2 3.75Å; L29-R72 HydrophobicContact CD2-CB 3.94Å; L29-R72 HydrophobicContact CD2-CG 3.7Å
30S89.9Confident86.9Confident0 Ų05.7 Ų5.70%03%0.028CC..THydrogen-bonded Turntrans-87.3-0.7176.8-60.90000113.9N26 T27 F28 L561N26-S30 WeakPolarHBondContact O-CB 3.25Å; N26-S30 PolarHBondContact O-N 3.21Å; N26-S30 PolarHBondContact O-OG 3.24Å; T27-S30 PolarHBondContact O-N 3.29Å; F28-S30 PolarHBondContact O-N 3.45Å; S30-L561 VanDerWaalsContact OG-CD1 3.29Å; S30-L561 WeakPolarHBondContact OG-CD1 3.3Å
31L90.2Very high87.4Confident0 Ų05.6 Ų5.60%03%0.029CC..  trans-63.2135.6-179.8-75.2171.3000111.7F28 V33 F34 A376 A380 S529F28-L31 HydrophobicContact CD2-CD1 3.88Å; F28-L31 HydrophobicContact CE2-CD1 4.45Å; F28-L31 VanDerWaalsContact O-CB 3.3Å; F28-L31 WeakPolarHBondContact O-CB 3.31Å; F28-L31 WeakPolarHBondContact O-CG 3.35Å; F28-L31 PolarHBondContact O-N 3.03Å; F28-L31 VanDerWaalsContact O-N 3.07Å; L31-V33 HydrophobicContact CB-CG1 4.41Å; L31-V33 PolarHBondContact O-N 2.73Å; L31-F34 HydrophobicContact CB-CD2 4.19Å; L31-F34 HydrophobicContact CB-CE2 4.29Å; L31-F34 PolarHBondContact O-N 2.8Å; L31-A376 HydrophobicContact CB-CB 4.4Å; L31-A376 HydrophobicContact CD2-CB 4.26Å; L31-A380 HydrophobicContact CD1-CB 3.74Å; L31-S529 WeakPolarHBondContact CD2-OG 3.19Å
32P88.4Confident87.2Confident9 Ų97 Ų76%0.0584%0.037CC..THydrogen-bonded Turntrans-65.8-11.9-171.716.4-25.1000115.2F34 K252 L372 A376 Y483 I526 L530P32-F34 VanDerWaalsContact C-N 3.32Å; P32-K252 PolarHBondContact O-NZ 3.07Å; P32-L372 HydrophobicContact CB-CB 3.79Å; P32-L372 HydrophobicContact CG-CB 3.86Å; P32-L372 WeakPolarHBondContact CG-O 3.38Å; P32-A376 HydrophobicContact CG-CB 3.63Å; P32-Y483 PolarHBondContact O-OH 3.33Å; P32-I526 HydrophobicContact CB-CG2 3.52Å; P32-I526 HydrophobicContact CG-CG2 3.84Å; P32-L530 HydrophobicContact CG-CB 4.42Å; P32-L530 HydrophobicContact CG-CD2 4.16Å
33V89.9Confident86.8Confident0 Ų012.1 Ų12.10%06%0.061CC..THydrogen-bonded Turntrans-66.4-34.4175.770.40000111.9L31 A376 D377 A380 P383 F384 Y483L31-V33 HydrophobicContact CB-CG1 4.41Å; L31-V33 PolarHBondContact O-N 2.73Å; V33-A376 HydrophobicContact CB-CB 4.21Å; V33-D377 HydrophobicContact CG2-CB 4.25Å; V33-A380 HydrophobicContact CG1-CB 3.46Å; V33-A380 VanDerWaalsContact CG1-CB 3.46Å; V33-P383 HydrophobicContact CG1-CG 3.87Å; V33-P383 HydrophobicContact CG2-CG 4.01Å; V33-F384 HydrophobicContact CG2-CB 4.17Å; V33-Y483 HydrophobicContact CG2-CE2 4.36Å; V33-Y483 WeakPolarHBondContact O-CE2 3.31Å; V33-Y483 PolarHBondContact O-OH 3.3Å
34F91.8Very high86.6Confident0 Ų016.4 Ų16.40%08%0.084CC..  trans-78.9133.8-176.7-64.9-50.1000112.6F28 L31 P32 R72 K252 A380 P383F28-F34 HydrophobicContact CD1-CE2 4.35Å; F28-F34 HydrophobicContact CD2-CE2 4.32Å; F28-F34 AromaticContact CE1-CE2 3.86Å; F28-F34 HydrophobicContact CE1-CE2 3.86Å; F28-F34 AromaticContact CE1-CZ 3.96Å; F28-F34 HydrophobicContact CE1-CZ 3.96Å; F28-F34 AromaticContact CE2-CE2 3.83Å; F28-F34 HydrophobicContact CE2-CE2 3.83Å; F28-F34 AromaticContact CE2-CZ 3.81Å; F28-F34 HydrophobicContact CE2-CZ 3.81Å; F28-F34 AromaticContact CZ-CE2 3.58Å; F28-F34 HydrophobicContact CZ-CE2 3.58Å; F28-F34 AromaticContact CZ-CZ 3.37Å; F28-F34 HydrophobicContact CZ-CZ 3.37Å; F28-F34 WeakPolarHBondContact O-CE2 3.17Å; L31-F34 HydrophobicContact CB-CD2 4.19Å; L31-F34 HydrophobicContact CB-CE2 4.29Å; L31-F34 PolarHBondContact O-N 2.8Å; P32-F34 VanDerWaalsContact C-N 3.32Å; F34-R72 VanDerWaalsContact CD1-NH1 3.28Å; F34-K252 VanDerWaalsContact C-NZ 3.25Å; F34-K252 WeakPolarHBondContact O-CE 3.42Å; F34-K252 PolarHBondContact O-NZ 3.28Å; F34-A380 HydrophobicContact CE2-CB 4.25Å; F34-A380 HydrophobicContact CZ-CB 4.04Å; F34-P383 HydrophobicContact CE1-CB 4.08Å; F34-P383 HydrophobicContact CE1-CG 3.85Å; F34-P383 HydrophobicContact CZ-CG 4.23Å
35G86.9Confident86.6Confident0 Ų016.1 Ų16.10%09%0.086CC..SBendtrans-64.3-54.5175.800000112.4S248 E490G35-S248 WeakPolarHBondContact O-CB 3.38Å; G35-E490 WeakPolarHBondContact CA-OE2 3.46Å; G35-E490 PolarHBondContact N-OE2 3.08Å
36Q89.6Confident86.4Confident0 Ų018.9 Ų18.90%010%0.099CC..SBendtrans-92129.5173.9-175.166.7-8.500111P38 W50 P51 W67 R72 Y246 E490 F494Q36-P38 HydrophobicContact CG-CG 4.16Å; Q36-P38 WeakPolarHBondContact O-CD 3.36Å; Q36-W50 PolarHBondContact OE1-O 3.33Å; Q36-P51 PolarHBondContact NE2-O 3.19Å; Q36-P51 PolarHBondContact OE1-O 3.19Å; Q36-W67 HydrophobicContact CB-CH2 4.14Å; Q36-W67 HydrophobicContact CG-CH2 4.39Å; Q36-R72 PolarHBondContact O-NH2 3.18Å; Q36-Y246 PolarHBondContact OE1-OH 3.49Å; Q36-E490 PolarHBondContact N-OE2 3.09Å; Q36-F494 HydrophobicContact CB-CD2 4.47Å; Q36-F494 HydrophobicContact CG-CD2 3.9Å; Q36-F494 HydrophobicContact CG-CE1 4.34Å; Q36-F494 HydrophobicContact CG-CE2 3.69Å; Q36-F494 HydrophobicContact CG-CG 4.31Å; Q36-F494 HydrophobicContact CG-CZ 3.94Å; Q36-F494 VanDerWaalsContact NE2-CZ 3.28Å
37T89.1Confident86.4Confident2 Ų218.7 Ų18.71%0.01210%0.098CC..EExtended strand (participates in β ladder)trans-117.286.1177.463.90000110.8W50T37-W50 PolarHBondContact N-O 3.31Å; T37-W50 PolarHBondContact O-N 3.38Å; T37-W50 PolarHBondContact OG1-O 2.89Å
38P90.1Very high86.5Confident0 Ų019.8 Ų19.80%011%0.106CC..EExtended strand (participates in β ladder)trans-68.8146.6169.5-16.833.3000110.7L29 Q36 W47 S48 L49 L64 W67 L68L29-P38 WeakPolarHBondContact CB-O 3.35Å; L29-P38 HydrophobicContact CD1-CB 4.35Å; Q36-P38 HydrophobicContact CG-CG 4.16Å; Q36-P38 WeakPolarHBondContact O-CD 3.36Å; P38-W47 HydrophobicContact CB-CE3 3.81Å; P38-W47 HydrophobicContact CB-CZ3 3.8Å; P38-S48 CarbonylContact C-O 3.45Å; P38-S48 WeakPolarHBondContact CA-O 3.23Å; P38-L49 HydrophobicContact CB-CD2 3.69Å; P38-L49 HydrophobicContact CG-CD2 4.05Å; P38-L64 HydrophobicContact CG-CD1 4.4Å; P38-W67 HydrophobicContact CG-CZ3 4.14Å; P38-L68 HydrophobicContact CG-CD2 4.19Å
39F88.5Confident86.4Confident20 Ų2020.7 Ų20.79%0.08811%0.11CC..EExtended strand (participates in β ladder)trans-139.8124175.8-179.4-87.2000109.8N26 S48 L561N26-F39 HydrophobicContact CB-CD2 3.99Å; N26-F39 HydrophobicContact CB-CE2 3.99Å; F39-S48 WeakPolarHBondContact CB-OG 3.3Å; F39-S48 PolarHBondContact N-O 2.81Å; F39-S48 PolarHBondContact O-N 3.49Å; F39-S48 PolarHBondContact O-OG 3.08Å; F39-S48 VanDerWaalsContact O-OG 3.07Å; F39-L561 HydrophobicContact CD2-CD1 4.34Å; F39-L561 HydrophobicContact CE2-CB 4.11Å; F39-L561 HydrophobicContact CE2-CD1 3.99Å
40Y87.7Confident86.1Confident7 Ų722 Ų223%0.02712%0.116CC..EExtended strand (participates in β ladder)trans-100.2127.4-175.2-178.2-119.1000111.2L16 A22 N26 V42 W47 M234L16-Y40 HydrophobicContact CB-CE1 4.09Å; L16-Y40 HydrophobicContact CD2-CD1 3.88Å; L16-Y40 HydrophobicContact CD2-CE1 4.32Å; L16-Y40 HydrophobicContact CD2-CG 4.38Å; A22-Y40 HydrophobicContact CB-CD1 4.25Å; N26-Y40 PolarHBondContact ND2-O 3.32Å; N26-Y40 PolarHBondContact OD1-N 2.83Å; Y40-V42 HydrophobicContact CD1-CG2 4.12Å; Y40-V42 HydrophobicContact CE1-CB 4.45Å; Y40-V42 HydrophobicContact CE1-CG2 3.93Å; Y40-W47 AromaticContact CD2-CD1 3.98Å; Y40-W47 AromaticContact CD2-CD2 3.9Å; Y40-W47 HydrophobicContact CD2-CD2 3.9Å; Y40-W47 AromaticContact CD2-CE2 3.57Å; Y40-W47 HydrophobicContact CD2-CG 4.19Å; Y40-W47 AromaticContact CD2-CZ2 3.95Å; Y40-W47 HydrophobicContact CD2-CZ2 3.95Å; Y40-W47 AromaticContact CD2-NE1 3.59Å; Y40-W47 AromaticContact CE2-NE1 3.93Å; Y40-W47 HydrophobicContact CG-CD2 4.44Å; Y40-W47 HydrophobicContact CG-CH2 4.31Å; Y40-W47 HydrophobicContact CG-CZ2 4.09Å; Y40-M234 HydrophobicContact CE2-CG 4.12Å; Y40-M234 HydrophobicContact CE2-SD 3.9Å
41T83Confident85.9Confident31 Ų3122.7 Ų22.719%0.1912%0.12CC..EExtended strand (participates in β ladder)trans-103.9113.6172.9-54.60000109.3E43 N44 S45 Q46T41-E43 HydrophobicContact CG2-CB 4.36Å; T41-N44 PolarHBondContact O-N 3.18Å; T41-S45 WeakPolarHBondContact O-CA 3.26Å; T41-S45 PolarHBondContact O-N 3.17Å; T41-Q46 PolarHBondContact N-O 2.89Å; T41-Q46 PolarHBondContact O-N 3.35Å
42V77.1Confident85.6Confident28 Ų2826.2 Ų26.217%0.1714%0.136CC..THydrogen-bonded Turntrans-63.4-43.9-176.1-174.80000111.1E19 A22 Y40 N44 S45E19-V42 HydrophobicContact CG-CG1 4.13Å; A22-V42 HydrophobicContact CB-CG2 3.73Å; Y40-V42 HydrophobicContact CD1-CG2 4.12Å; Y40-V42 HydrophobicContact CE1-CB 4.45Å; Y40-V42 HydrophobicContact CE1-CG2 3.93Å; V42-N44 VanDerWaalsContact C-N 3.27Å; V42-N44 PolarHBondContact O-N 3.11Å; V42-S45 PolarHBondContact O-N 3.04Å; V42-S45 VanDerWaalsContact O-N 3.16Å
43E73.8Confident85.3Confident109 Ų10926.3 Ų26.351%0.50914%0.136SC..THydrogen-bonded Turntrans-54.1-40.8-178.3-172178.3-166.800113.2T41 Q557T41-E43 HydrophobicContact CG2-CB 4.36Å; E43-Q557 VanDerWaalsContact OE2-CG 3.3Å; E43-Q557 WeakPolarHBondContact OE2-CG 3.48Å; E43-Q557 PolarHBondContact OE2-NE2 3.1Å
44N77.8Confident84.9Confident100 Ų10026.9 Ų26.954%0.53514%0.14SC..THydrogen-bonded Turntrans-103.7-0.2-176-64.4-32.7000113.3T41 V42 Q46T41-N44 PolarHBondContact O-N 3.18Å; V42-N44 VanDerWaalsContact C-N 3.27Å; V42-N44 PolarHBondContact O-N 3.11Å; N44-Q46 HydrophobicContact CB-CB 4.03Å; N44-Q46 PolarHBondContact O-N 2.95Å; N44-Q46 VanDerWaalsContact O-N 3.16Å
45S81.3Confident83.8Confident25 Ų2529.6 Ų29.618%0.17516%0.158CC..THydrogen-bonded Turntrans46.641.5-170.7-60.80000112.3T41 V42 M234 S235T41-S45 WeakPolarHBondContact O-CA 3.26Å; T41-S45 PolarHBondContact O-N 3.17Å; V42-S45 PolarHBondContact O-N 3.04Å; V42-S45 VanDerWaalsContact O-N 3.16Å; S45-M234 VanDerWaalsContact O-CA 3.28Å; S45-M234 WeakPolarHBondContact O-CA 3.23Å; S45-S235 PolarHBondContact O-N 3.43Å; S45-S235 VanDerWaalsContact O-N 3.1Å
46Q84.7Confident82.9Confident58 Ų5832 Ų3227%0.27117%0.171SC..EExtended strand (participates in β ladder)trans-122.1137-169.2-168.417332.800111.9T41 N44 S235 Q237T41-Q46 PolarHBondContact N-O 2.89Å; T41-Q46 PolarHBondContact O-N 3.35Å; N44-Q46 HydrophobicContact CB-CB 4.03Å; N44-Q46 PolarHBondContact O-N 2.95Å; N44-Q46 VanDerWaalsContact O-N 3.16Å; Q46-S235 CarbonylContact C-O 3.55Å; Q46-S235 WeakPolarHBondContact CA-O 3.49Å; Q46-Q237 HydrophobicContact CG-CB 4.34Å
47W88.3Confident82.2Confident0 Ų033.6 Ų33.60%018%0.18CC..EExtended strand (participates in β ladder)trans-95.9123.8172.6-71.190.6000110.8L16 L29 P38 Y40 L64 L65 L68 S235 I236 Q237L16-W47 HydrophobicContact CD1-CH2 4.2Å; L16-W47 HydrophobicContact CD1-CZ2 3.58Å; L16-W47 HydrophobicContact CD2-CH2 4.31Å; L16-W47 HydrophobicContact CD2-CZ2 4.37Å; L29-W47 HydrophobicContact CD1-CH2 4.49Å; L29-W47 HydrophobicContact CD1-CZ3 4.11Å; P38-W47 HydrophobicContact CB-CE3 3.81Å; P38-W47 HydrophobicContact CB-CZ3 3.8Å; Y40-W47 AromaticContact CD2-CD1 3.98Å; Y40-W47 AromaticContact CD2-CD2 3.9Å; Y40-W47 HydrophobicContact CD2-CD2 3.9Å; Y40-W47 AromaticContact CD2-CE2 3.57Å; Y40-W47 HydrophobicContact CD2-CG 4.19Å; Y40-W47 AromaticContact CD2-CZ2 3.95Å; Y40-W47 HydrophobicContact CD2-CZ2 3.95Å; Y40-W47 AromaticContact CD2-NE1 3.59Å; Y40-W47 AromaticContact CE2-NE1 3.93Å; Y40-W47 HydrophobicContact CG-CD2 4.44Å; Y40-W47 HydrophobicContact CG-CH2 4.31Å; Y40-W47 HydrophobicContact CG-CZ2 4.09Å; W47-L64 HydrophobicContact CB-CD2 4.01Å; W47-L64 HydrophobicContact CD2-CD2 3.81Å; W47-L64 HydrophobicContact CE3-CD2 4.19Å; W47-L64 HydrophobicContact CG-CD2 3.73Å; W47-L65 HydrophobicContact CZ2-CD2 3.99Å; W47-L68 HydrophobicContact CH2-CD1 3.43Å; W47-L68 VanDerWaalsContact CH2-CD1 3.43Å; W47-L68 HydrophobicContact CZ2-CD1 3.87Å; W47-L68 HydrophobicContact CZ3-CD1 3.88Å; W47-S235 PolarHBondContact N-O 2.73Å; W47-I236 HydrophobicContact CB-CG1 4.2Å; W47-Q237 WeakPolarHBondContact O-CB 3.23Å; W47-Q237 PolarHBondContact O-N 3.44Å
48S87.4Confident81.5Confident27 Ų2736.6 Ų36.619%0.18920%0.195CC..EExtended strand (participates in β ladder)trans-97.2137.4163.561.30000109.1P38 F39P38-S48 CarbonylContact C-O 3.45Å; P38-S48 WeakPolarHBondContact CA-O 3.23Å; F39-S48 WeakPolarHBondContact CB-OG 3.3Å; F39-S48 PolarHBondContact N-O 2.81Å; F39-S48 PolarHBondContact O-N 3.49Å; F39-S48 PolarHBondContact O-OG 3.08Å; F39-S48 VanDerWaalsContact O-OG 3.07Å
49L87.6Confident81.1Confident18 Ų1838.6 Ų38.69%0.09421%0.211CC..EExtended strand (participates in β ladder)trans-123.4133.4-172.6-67.6-177.2000109.6P38 I53 L64 I236 F494P38-L49 HydrophobicContact CB-CD2 3.69Å; P38-L49 HydrophobicContact CG-CD2 4.05Å; L49-I53 HydrophobicContact CD1-CD1 3.56Å; L49-I53 HydrophobicContact CD1-CG1 3.94Å; L49-L64 HydrophobicContact CD2-CD1 4.09Å; L49-L64 HydrophobicContact CD2-CD2 3.99Å; L49-I236 HydrophobicContact CD1-CD1 4.39Å; L49-I236 HydrophobicContact CD1-CG2 3.54Å; L49-I236 HydrophobicContact CG-CG2 4.07Å; L49-F494 HydrophobicContact CD1-CZ 4.22Å
50W85.5Confident80.8Confident29 Ų2940.8 Ų40.811%0.1122%0.221CC..EExtended strand (participates in β ladder)trans-136.7126.4169.8-172.493.5000112.1Q36 T37 A251 K252 M255 L522Q36-W50 PolarHBondContact OE1-O 3.33Å; T37-W50 PolarHBondContact N-O 3.31Å; T37-W50 PolarHBondContact O-N 3.38Å; T37-W50 PolarHBondContact OG1-O 2.89Å; W50-A251 HydrophobicContact CH2-CB 4.12Å; W50-A251 HydrophobicContact CZ2-CB 3.91Å; W50-K252 HydrophobicContact CH2-CG 3.93Å; W50-K252 HydrophobicContact CZ3-CG 3.97Å; W50-M255 HydrophobicContact CH2-CB 4.16Å; W50-M255 HydrophobicContact CH2-CE 4.09Å; W50-M255 HydrophobicContact CH2-SD 3.71Å; W50-M255 HydrophobicContact CZ2-CB 3.98Å; W50-M255 HydrophobicContact CZ2-CG 4.39Å; W50-M255 HydrophobicContact CZ2-SD 3.87Å; W50-M255 HydrophobicContact CZ3-SD 4.42Å; W50-L522 HydrophobicContact CB-CD1 4.5Å; W50-L522 HydrophobicContact CB-CD2 4.29Å; W50-L522 HydrophobicContact CD2-CD2 3.22Å; W50-L522 HydrophobicContact CD2-CG 4.48Å; W50-L522 HydrophobicContact CE3-CD2 3.76Å; W50-L522 HydrophobicContact CG-CD1 4.47Å; W50-L522 HydrophobicContact CG-CD2 3.45Å; W50-L522 VanDerWaalsContact CG-CD2 3.45Å; W50-L522 HydrophobicContact CH2-CD2 4.14Å; W50-L522 HydrophobicContact CZ2-CD2 3.67Å; W50-L522 HydrophobicContact CZ3-CD2 4.19Å
51P85.9Confident80.6Confident14 Ų1443.8 Ų43.89%0.09123%0.232CC..SBendcis-59.8155.7-9.1-2637.9000115.1Q36 Y246 A251Q36-P51 PolarHBondContact NE2-O 3.19Å; Q36-P51 PolarHBondContact OE1-O 3.19Å; P51-Y246 HydrophobicContact CB-CD2 4.46Å; P51-Y246 HydrophobicContact CB-CE2 4.03Å; P51-A251 HydrophobicContact CB-CB 4.1Å; P51-A251 HydrophobicContact CG-CB 3.29Å
52E82.9Confident80.7Confident73 Ų7349 Ų4934%0.34125%0.252SS..PPolyproline II helixtrans-69146.5177.1-68.2-179.3-165.900111.9C239 H241E52-C239 PolarHBondContact OE2-SG 2.83Å; E52-H241 IonicContact OE1-CD2 3.75Å; E52-H241 IonicContact OE2-CD2 3.55Å
53I83Confident81.1Confident11 Ų1148.1 Ų48.16%0.05625%0.249CC..PPolyproline II helixtrans-69.7127.4171.3-63.3172000108.5L49 L57 A59 C239 F494 T499L49-I53 HydrophobicContact CD1-CD1 3.56Å; L49-I53 HydrophobicContact CD1-CG1 3.94Å; I53-L57 HydrophobicContact CG2-CB 3.8Å; I53-A59 HydrophobicContact CD1-CB 3.7Å; I53-C239 VanDerWaalsContact O-CB 3.24Å; I53-C239 WeakPolarHBondContact O-CB 3.27Å; I53-C239 PolarHBondContact O-SG 2.83Å; I53-F494 HydrophobicContact CD1-CE1 4.35Å; I53-F494 HydrophobicContact CD1-CZ 4Å; I53-F494 HydrophobicContact CG1-CE1 3.95Å; I53-F494 HydrophobicContact CG1-CZ 3.97Å; I53-T499 HydrophobicContact CD1-CG2 4.5Å; I53-T499 HydrophobicContact CG2-CG2 3.89Å
54P80.1Confident81.8Confident12 Ų1242.9 Ų42.98%0.07823%0.225CC..PPolyproline II helixtrans-55.3139.5178.4-28.336.2000113.1N56 L57 K244P54-N56 WeakPolarHBondContact CB-OD1 3.33Å; P54-N56 PolarHBondContact O-N 3.38Å; P54-L57 PolarHBondContact O-N 2.83Å; P54-K244 WeakPolarHBondContact CG-O 3.34Å
55C70.7Confident82.3Confident57 Ų5738.4 Ų38.439%0.38520%0.201SC..THydrogen-bonded Turntrans-56.3-19.6-177.8-62.50000115.4L57 C239 H241C55-L57 PolarHBondContact O-N 2.85Å; C55-C239 PolarHBondContact SG-O 3.4Å; C55-H241 PolarHBondContact SG-O 2.8Å
56N66.5Low82.6Confident51 Ų5140.3 Ų40.327%0.27321%0.211SC..THydrogen-bonded Turntrans-77.3-6176.161-64.8000113.7P54P54-N56 WeakPolarHBondContact CB-OD1 3.33Å; P54-N56 PolarHBondContact O-N 3.38Å
57L74.8Confident83Confident34 Ų3437.6 Ų37.618%0.17820%0.198CC..SBendtrans-112.9133.5177.8-62.3177.1000109.4I53 P54 C55 A59 L495 T499I53-L57 HydrophobicContact CG2-CB 3.8Å; P54-L57 PolarHBondContact O-N 2.83Å; C55-L57 PolarHBondContact O-N 2.85Å; L57-A59 PolarHBondContact O-N 3.48Å; L57-L495 HydrophobicContact CD1-CD2 3.99Å; L57-T499 HydrophobicContact CB-CG2 3.87Å; L57-T499 HydrophobicContact CD1-CG2 3.96Å; L57-T499 HydrophobicContact CG-CG2 4.45Å
58I75.5Confident83.2Confident65 Ų6537.6 Ų37.633%0.33320%0.198SC..EExtended strand (participates in β ladder)trans-83.6114.3175.7-58.3175000107.9T499 Q500 K502 I504I58-T499 WeakPolarHBondContact O-CA 3.49Å; I58-Q500 HydrophobicContact CB-CB 4.43Å; I58-Q500 PolarHBondContact O-N 3.47Å; I58-K502 HydrophobicContact CD1-CB 4.21Å; I58-I504 HydrophobicContact CD1-CD1 4.06Å; I58-I504 HydrophobicContact CG1-CD1 4.42Å
59A80.6Confident83.3Confident41 Ų4139.2 Ų39.234%0.33920%0.203SC..EExtended strand (participates in β ladder)trans-70.5136.1176.600000111.4I53 L57 I236 T498I53-A59 HydrophobicContact CD1-CB 3.7Å; L57-A59 PolarHBondContact O-N 3.48Å; A59-I236 HydrophobicContact CB-CB 4.33Å; A59-I236 HydrophobicContact CB-CD1 3.81Å; A59-I236 HydrophobicContact CB-CG2 4.22Å; A59-T498 CarbonylContact C-O 3.51Å; A59-T498 WeakPolarHBondContact CA-O 3.5Å
60K83.6Confident83.3Confident67 Ų6744.3 Ų44.329%0.29123%0.225SC..  trans-115.7112.2176.1-65.8174.6-179.6163.60110.1K62 G63 L64 T498 T499K60-K62 VanDerWaalsContact C-N 3.34Å; K60-K62 PolarHBondContact O-N 3.48Å; K60-G63 PolarHBondContact O-N 2.87Å; K60-G63 VanDerWaalsContact O-N 3.16Å; K60-L64 PolarHBondContact O-N 3.21Å; K60-T498 PolarHBondContact N-O 3.38Å; K60-T499 PolarHBondContact NZ-O 2.93Å
61Y82.6Confident83.5Confident69 Ų6945 Ų4527%0.27123%0.229SC..Hα-helixtrans-62.3-4017680.5-85.4000112.2G63 L64 L65 M234Y61-G63 VanDerWaalsContact C-N 3.29Å; Y61-G63 PolarHBondContact O-N 2.83Å; Y61-L64 WeakPolarHBondContact O-CB 3.38Å; Y61-L64 PolarHBondContact O-N 3.26Å; Y61-L64 VanDerWaalsContact O-N 3.16Å; Y61-L65 HydrophobicContact CD2-CD1 4.19Å; Y61-L65 WeakPolarHBondContact O-CG 3.5Å; Y61-L65 PolarHBondContact O-N 2.91Å; Y61-M234 HydrophobicContact CD2-CB 4.02Å; Y61-M234 HydrophobicContact CE2-CB 4.45Å
62K84.6Confident83.7Confident141 Ų14144.7 Ų44.761%0.61323%0.226SC*.Hα-helixtrans-59.9-40.4174.5-65.8-170.2178.6-1750112.2K60 L65 T66K60-K62 VanDerWaalsContact C-N 3.34Å; K60-K62 PolarHBondContact O-N 3.48Å; K62-L65 PolarHBondContact O-N 3.21Å; K62-T66 PolarHBondContact O-N 3.36Å; K62-T66 PolarHBondContact O-OG1 2.93Å; K62-T66 VanDerWaalsContact O-OG1 3.11Å
63G85.6Confident84.1Confident9 Ų941.3 Ų41.39%0.09321%0.21CC..Hα-helixtrans-66.1-38.6176.100000112.7K60 Y61 T66 W67 F497K60-G63 PolarHBondContact O-N 2.87Å; K60-G63 VanDerWaalsContact O-N 3.16Å; Y61-G63 VanDerWaalsContact C-N 3.29Å; Y61-G63 PolarHBondContact O-N 2.83Å; G63-T66 PolarHBondContact O-N 3.25Å; G63-W67 WeakPolarHBondContact O-CB 3.47Å; G63-W67 PolarHBondContact O-N 2.94Å; G63-F497 VanDerWaalsContact CA-O 3.24Å; G63-F497 WeakPolarHBondContact CA-O 3.49Å
64L88.7Confident84.4Confident0 Ų043.8 Ų43.80%023%0.227CC..Hα-helixtrans-60-46.4171.8177.668000111.7P38 W47 L49 K60 Y61 W67 L68 I236 F494 T498P38-L64 HydrophobicContact CG-CD1 4.4Å; W47-L64 HydrophobicContact CB-CD2 4.01Å; W47-L64 HydrophobicContact CD2-CD2 3.81Å; W47-L64 HydrophobicContact CE3-CD2 4.19Å; W47-L64 HydrophobicContact CG-CD2 3.73Å; L49-L64 HydrophobicContact CD2-CD1 4.09Å; L49-L64 HydrophobicContact CD2-CD2 3.99Å; K60-L64 PolarHBondContact O-N 3.21Å; Y61-L64 WeakPolarHBondContact O-CB 3.38Å; Y61-L64 PolarHBondContact O-N 3.26Å; Y61-L64 VanDerWaalsContact O-N 3.16Å; L64-W67 HydrophobicContact CD1-CE3 4.32Å; L64-W67 PolarHBondContact O-N 2.93Å; L64-L68 HydrophobicContact CD1-CG 4.48Å; L64-L68 HydrophobicContact CG-CD1 4.18Å; L64-L68 VanDerWaalsContact O-CG 3.31Å; L64-L68 WeakPolarHBondContact O-CG 3.37Å; L64-L68 PolarHBondContact O-N 2.97Å; L64-I236 HydrophobicContact CB-CD1 4.24Å; L64-I236 HydrophobicContact CD2-CD1 3.99Å; L64-I236 HydrophobicContact CD2-CG1 4.09Å; L64-F494 HydrophobicContact CD1-CE2 3.86Å; L64-T498 HydrophobicContact CB-CG2 3.93Å; L64-T498 HydrophobicContact CD1-CG2 3.96Å
65L88.8Confident84.9Confident6 Ų645.2 Ų45.23%0.03123%0.232CC..Hα-helixtrans-61.9-46.4178.2-66.6171.8000112L12 I13 L16 W47 Y61 K62 W67 L68 E69 M234L12-L65 HydrophobicContact CD2-CD2 4.03Å; L12-L65 HydrophobicContact CG-CD2 4.47Å; I13-L65 HydrophobicContact CD1-CD1 3.97Å; I13-L65 HydrophobicContact CG1-CD1 3.72Å; L16-L65 HydrophobicContact CD1-CD2 3.9Å; W47-L65 HydrophobicContact CZ2-CD2 3.99Å; Y61-L65 HydrophobicContact CD2-CD1 4.19Å; Y61-L65 WeakPolarHBondContact O-CG 3.5Å; Y61-L65 PolarHBondContact O-N 2.91Å; K62-L65 PolarHBondContact O-N 3.21Å; L65-W67 VanDerWaalsContact C-N 3.28Å; L65-W67 PolarHBondContact O-N 3.09Å; L65-L68 WeakPolarHBondContact O-CB 3.41Å; L65-L68 PolarHBondContact O-N 3.31Å; L65-L68 VanDerWaalsContact O-N 3.14Å; L65-E69 WeakPolarHBondContact O-CG 3.5Å; L65-E69 PolarHBondContact O-N 3.49Å; L65-M234 HydrophobicContact CD1-CE 3.94Å; L65-M234 HydrophobicContact CD2-SD 4.46Å
66T88.3Confident85.7Confident65 Ų6542.5 Ų42.540%0.39921%0.213SC..Hα-helixtrans-61.2-37.9176-54.40000112.1K62 G63 K70 F497K62-T66 PolarHBondContact O-N 3.36Å; K62-T66 PolarHBondContact O-OG1 2.93Å; K62-T66 VanDerWaalsContact O-OG1 3.11Å; G63-T66 PolarHBondContact O-N 3.25Å; T66-K70 WeakPolarHBondContact O-CB 3.25Å; T66-K70 PolarHBondContact O-N 2.95Å; T66-K70 VanDerWaalsContact O-N 3.1Å; T66-F497 HydrophobicContact CG2-CD1 4.1Å; T66-F497 HydrophobicContact CG2-CE1 3.98Å
67W92.1Very high86.7Confident0 Ų040.9 Ų40.90%021%0.206CC..Hα-helixtrans-66-42.2175178.583.5000111.8Q36 P38 G63 L64 L65 K70 H71 R72 E490 F494 F497Q36-W67 HydrophobicContact CB-CH2 4.14Å; Q36-W67 HydrophobicContact CG-CH2 4.39Å; P38-W67 HydrophobicContact CG-CZ3 4.14Å; G63-W67 WeakPolarHBondContact O-CB 3.47Å; G63-W67 PolarHBondContact O-N 2.94Å; L64-W67 HydrophobicContact CD1-CE3 4.32Å; L64-W67 PolarHBondContact O-N 2.93Å; L65-W67 VanDerWaalsContact C-N 3.28Å; L65-W67 PolarHBondContact O-N 3.09Å; W67-K70 PolarHBondContact O-N 3.3Å; W67-H71 AromaticContact CD1-CD2 3.45Å; W67-H71 VanDerWaalsContact CD1-CD2 3.45Å; W67-H71 AromaticContact NE1-CD2 3.74Å; W67-H71 AromaticContact NE1-CG 3.9Å; W67-H71 WeakPolarHBondContact O-CB 3.28Å; W67-H71 PolarHBondContact O-N 3.38Å; W67-R72 HydrophobicContact CH2-CG 4.3Å; W67-R72 VanDerWaalsContact CH2-CZ 3.4Å; W67-R72 VanDerWaalsContact CH2-NH2 3.3Å; W67-R72 HydrophobicContact CZ3-CG 4.07Å; W67-E490 HydrophobicContact CZ2-CG 4Å; W67-F494 AromaticContact CD2-CD2 4Å; W67-F494 HydrophobicContact CD2-CD2 4Å; W67-F494 HydrophobicContact CE3-CD2 4.05Å; W67-F494 HydrophobicContact CH2-CD2 4.08Å; W67-F494 HydrophobicContact CZ2-CB 4.02Å; W67-F494 HydrophobicContact CZ2-CD2 4.08Å; W67-F494 HydrophobicContact CZ2-CG 4.49Å; W67-F494 HydrophobicContact CZ3-CD2 4.09Å; W67-F497 HydrophobicContact CB-CB 3.77Å; W67-F497 HydrophobicContact CB-CD2 4.46Å; W67-F497 HydrophobicContact CB-CG 4.12Å; W67-F497 AromaticContact CD1-CD2 3.9Å; W67-F497 HydrophobicContact CG-CB 4.38Å
68L92Very high87.2Confident0 Ų044.8 Ų44.80%022%0.222CC..Hα-helixtrans-62.2-46.2175.3-71.3171.8000111.9L12 L29 P38 W47 L64 L65 K70 R72 L73L12-L68 HydrophobicContact CD2-CB 3.5Å; L12-L68 HydrophobicContact CD2-CD1 4.01Å; L12-L68 HydrophobicContact CD2-CG 4.41Å; L29-L68 HydrophobicContact CD1-CD2 4.27Å; L29-L68 HydrophobicContact CD2-CD2 3.75Å; P38-L68 HydrophobicContact CG-CD2 4.19Å; W47-L68 HydrophobicContact CH2-CD1 3.43Å; W47-L68 VanDerWaalsContact CH2-CD1 3.43Å; W47-L68 HydrophobicContact CZ2-CD1 3.87Å; W47-L68 HydrophobicContact CZ3-CD1 3.88Å; L64-L68 HydrophobicContact CD1-CG 4.48Å; L64-L68 HydrophobicContact CG-CD1 4.18Å; L64-L68 VanDerWaalsContact O-CG 3.31Å; L64-L68 WeakPolarHBondContact O-CG 3.37Å; L64-L68 PolarHBondContact O-N 2.97Å; L65-L68 WeakPolarHBondContact O-CB 3.41Å; L65-L68 PolarHBondContact O-N 3.31Å; L65-L68 VanDerWaalsContact O-N 3.14Å; L68-K70 VanDerWaalsContact C-N 3.27Å; L68-K70 PolarHBondContact O-N 3.11Å; L68-R72 HydrophobicContact CD2-CB 4.05Å; L68-R72 HydrophobicContact CD2-CG 3.69Å; L68-R72 CarbonylContact O-C 3.59Å; L68-R72 WeakPolarHBondContact O-CA 3.36Å; L68-R72 WeakPolarHBondContact O-CB 3.43Å; L68-R72 PolarHBondContact O-N 3.19Å; L68-L73 PolarHBondContact O-N 3.43Å
69E89.3Confident87.7Confident62 Ų6241.8 Ų41.829%0.2921%0.207SC..Hα-helixtrans-58.8-37.8176.7-75.1173.5164.300112.2L12 L65 P74L12-E69 HydrophobicContact CB-CG 3.56Å; L12-E69 WeakPolarHBondContact CB-OE1 3.4Å; L12-E69 HydrophobicContact CD2-CG 4.08Å; L12-E69 HydrophobicContact CG-CG 4.44Å; L12-E69 PolarHBondContact N-OE1 3.43Å; L65-E69 WeakPolarHBondContact O-CG 3.5Å; L65-E69 PolarHBondContact O-N 3.49Å; E69-P74 VanDerWaalsContact O-CD 3.31Å; E69-P74 WeakPolarHBondContact O-CD 3.24Å
70K88.6Confident87.5Confident125 Ų12543.2 Ų43.254%0.54321%0.208SC..Hα-helixtrans-86.7-37.7-176.8-171.1176.4-179.4-177.90114T66 W67 L68 F497T66-K70 WeakPolarHBondContact O-CB 3.25Å; T66-K70 PolarHBondContact O-N 2.95Å; T66-K70 VanDerWaalsContact O-N 3.1Å; W67-K70 PolarHBondContact O-N 3.3Å; L68-K70 VanDerWaalsContact C-N 3.27Å; L68-K70 PolarHBondContact O-N 3.11Å; K70-F497 HydrophobicContact CD-CZ 4.08Å
71H88.8Confident87.2Confident44 Ų4440.2 Ų40.220%0.20420%0.196CC..Hα-helixtrans-115-6.8-167.9-66.8-86.3000114.5W67 F75 F497W67-H71 AromaticContact CD1-CD2 3.45Å; W67-H71 VanDerWaalsContact CD1-CD2 3.45Å; W67-H71 AromaticContact NE1-CD2 3.74Å; W67-H71 AromaticContact NE1-CG 3.9Å; W67-H71 WeakPolarHBondContact O-CB 3.28Å; W67-H71 PolarHBondContact O-N 3.38Å; H71-F75 WeakPolarHBondContact O-CD2 3.28Å; H71-F497 AromaticContact NE2-CE2 3.85Å
72R91.6Very high87Confident6 Ų637 Ų372%0.02318%0.183CC..THydrogen-bonded Turntrans-124.1-51.4179.9-66.8-62.6-171.5-112.65.5113.1F25 F28 L29 F34 Q36 W67 L68 P74 F75 F76 E490F25-R72 HydrophobicContact CZ-CB 4.19Å; F28-R72 HydrophobicContact CE1-CB 4.12Å; F28-R72 WeakPolarHBondContact CE1-O 3.22Å; L29-R72 HydrophobicContact CD2-CB 3.94Å; L29-R72 HydrophobicContact CD2-CG 3.7Å; F34-R72 VanDerWaalsContact CD1-NH1 3.28Å; Q36-R72 PolarHBondContact O-NH2 3.18Å; W67-R72 HydrophobicContact CH2-CG 4.3Å; W67-R72 VanDerWaalsContact CH2-CZ 3.4Å; W67-R72 VanDerWaalsContact CH2-NH2 3.3Å; W67-R72 HydrophobicContact CZ3-CG 4.07Å; L68-R72 HydrophobicContact CD2-CB 4.05Å; L68-R72 HydrophobicContact CD2-CG 3.69Å; L68-R72 CarbonylContact O-C 3.59Å; L68-R72 WeakPolarHBondContact O-CA 3.36Å; L68-R72 WeakPolarHBondContact O-CB 3.43Å; L68-R72 PolarHBondContact O-N 3.19Å; R72-P74 VanDerWaalsContact C-CD 3.46Å; R72-F75 PolarHBondContact O-N 3.42Å; R72-F75 VanDerWaalsContact O-N 3.1Å; R72-F76 PolarHBondContact O-N 3.47Å; R72-E490 IonicContact CZ-OE1 2.92Å; R72-E490 IonicContact NH1-OE1 3.44Å; R72-E490 PolarHBondContact NH1-OE1 3.06Å; R72-E490 IonicContact NH2-OE1 2.7Å; R72-E490 PolarHBondContact NH2-OE1 3.22Å; R72-E490 IonicContact NH2-OE2 2.92Å; R72-E490 PolarHBondContact NH2-OE2 2.89Å
73L90Very high86.3Confident3 Ų334.9 Ų34.92%0.01617%0.174CC..Hα-helixtrans-56.3-41.2-176.5-169.863.9000113.7I7 L15 F21 F25 L68 F75 F76 C77I7-L73 HydrophobicContact CG2-CD1 4.24Å; L15-L73 HydrophobicContact CD1-CD1 4.42Å; L15-L73 HydrophobicContact CD1-CD2 4.49Å; F21-L73 HydrophobicContact CZ-CD1 4.18Å; F25-L73 HydrophobicContact CE2-CD1 4.25Å; L68-L73 PolarHBondContact O-N 3.43Å; L73-F75 VanDerWaalsContact C-N 3.27Å; L73-F75 PolarHBondContact O-N 3.19Å; L73-F76 HydrophobicContact CD1-CD1 4.22Å; L73-F76 WeakPolarHBondContact O-CB 3.47Å; L73-F76 PolarHBondContact O-N 2.78Å; L73-C77 PolarHBondContact O-N 3.17Å; L73-C77 PolarHBondContact O-SG 3.05Å; L73-C77 VanDerWaalsContact O-SG 3.36Å
74P90.5Very high85.4Confident62 Ų6236.4 Ų36.440%0.40318%0.178SC..Hα-helixtrans-65.3-32.2179.2-22.635.5000112.9E69 R72E69-P74 VanDerWaalsContact O-CD 3.31Å; E69-P74 WeakPolarHBondContact O-CD 3.24Å; R72-P74 VanDerWaalsContact C-CD 3.46Å
75F89.4Confident84.6Confident42 Ų4237.1 Ų37.118%0.18418%0.181CC..Hα-helixtrans-75-41.8175.1-73-66.4000111F28 H71 R72 L73 C77 K78 T79 P383 D386F28-F75 HydrophobicContact CE2-CB 4.38Å; F28-F75 HydrophobicContact CZ-CB 3.8Å; H71-F75 WeakPolarHBondContact O-CD2 3.28Å; R72-F75 PolarHBondContact O-N 3.42Å; R72-F75 VanDerWaalsContact O-N 3.1Å; L73-F75 VanDerWaalsContact C-N 3.27Å; L73-F75 PolarHBondContact O-N 3.19Å; F75-C77 VanDerWaalsContact C-N 3.26Å; F75-C77 PolarHBondContact O-N 3.46Å; F75-K78 WeakPolarHBondContact O-CB 3.34Å; F75-K78 PolarHBondContact O-N 3.37Å; F75-T79 VanDerWaalsContact O-CG2 3.26Å; F75-T79 WeakPolarHBondContact O-CG2 3.26Å; F75-P383 HydrophobicContact CD1-CB 4.09Å; F75-P383 HydrophobicContact CD2-CB 4.39Å; F75-P383 HydrophobicContact CE1-CB 3.94Å; F75-P383 HydrophobicContact CE2-CB 4.23Å; F75-P383 HydrophobicContact CG-CB 4.32Å; F75-P383 HydrophobicContact CZ-CB 4.01Å; F75-D386 HydrophobicContact CE1-CB 4.34Å; F75-D386 WeakPolarHBondContact CE1-OD2 3.44Å
76F88.8Confident83.4Confident0 Ų038 Ų380%019%0.186CC..Hα-helixtrans-52.2-47.5173.4177.5-110.4000110.9F21 F24 F25 F28 R72 L73 K78 T79 L81 C82F21-F76 HydrophobicContact CD2-CE1 4.39Å; F21-F76 HydrophobicContact CE2-CD1 4.36Å; F21-F76 AromaticContact CE2-CE1 3.79Å; F21-F76 HydrophobicContact CE2-CE1 3.79Å; F21-F76 HydrophobicContact CE2-CZ 4.49Å; F24-F76 HydrophobicContact CB-CE2 4.35Å; F24-F76 HydrophobicContact CB-CZ 4.14Å; F25-F76 HydrophobicContact CD2-CB 4.26Å; F25-F76 HydrophobicContact CD2-CD1 4.17Å; F25-F76 HydrophobicContact CD2-CD2 4.09Å; F25-F76 HydrophobicContact CD2-CE2 4.48Å; F25-F76 AromaticContact CD2-CG 3.9Å; F25-F76 HydrophobicContact CD2-CG 3.9Å; F25-F76 HydrophobicContact CE2-CB 4.08Å; F25-F76 HydrophobicContact CE2-CG 4.22Å; F28-F76 HydrophobicContact CB-CD2 3.65Å; F28-F76 HydrophobicContact CB-CE2 4.09Å; F28-F76 HydrophobicContact CD1-CB 3.94Å; F28-F76 HydrophobicContact CD1-CD2 4.02Å; F28-F76 HydrophobicContact CD1-CG 4.38Å; F28-F76 HydrophobicContact CD2-CB 4.38Å; F28-F76 HydrophobicContact CD2-CD2 4.02Å; F28-F76 HydrophobicContact CE1-CB 3.83Å; F28-F76 HydrophobicContact CE2-CB 4.28Å; F28-F76 HydrophobicContact CG-CB 4.21Å; F28-F76 AromaticContact CG-CD2 3.63Å; F28-F76 HydrophobicContact CG-CD2 3.63Å; F28-F76 HydrophobicContact CG-CG 4.38Å; F28-F76 HydrophobicContact CZ-CB 4Å; R72-F76 PolarHBondContact O-N 3.47Å; L73-F76 HydrophobicContact CD1-CD1 4.22Å; L73-F76 WeakPolarHBondContact O-CB 3.47Å; L73-F76 PolarHBondContact O-N 2.78Å; F76-K78 PolarHBondContact O-N 3.3Å; F76-T79 WeakPolarHBondContact O-CB 3.44Å; F76-T79 PolarHBondContact O-N 3.02Å; F76-T79 PolarHBondContact O-OG1 3.48Å; F76-L81 HydrophobicContact CE2-CB 4.06Å; F76-C82 HydrophobicContact CD1-CB 3.9Å; F76-C82 HydrophobicContact CD2-CB 4.35Å; F76-C82 HydrophobicContact CE1-CB 3.7Å; F76-C82 HydrophobicContact CE2-CB 4.19Å; F76-C82 HydrophobicContact CG-CB 4.23Å; F76-C82 HydrophobicContact CZ-CB 3.87Å; F76-C82 WeakPolarHBondContact O-CB 3.45Å
77C86.3Confident82Confident18 Ų1837.1 Ų37.112%0.12218%0.178CC..THydrogen-bonded Turntrans-60.5-17.5179.3-66.90000115.1A4 L73 F75A4-C77 HydrophobicContact CB-CB 4.39Å; A4-C77 PolarHBondContact O-SG 3.03Å; A4-C77 VanDerWaalsContact O-SG 3.4Å; L73-C77 PolarHBondContact O-N 3.17Å; L73-C77 PolarHBondContact O-SG 3.05Å; L73-C77 VanDerWaalsContact O-SG 3.36Å; F75-C77 VanDerWaalsContact C-N 3.26Å; F75-C77 PolarHBondContact O-N 3.46Å
78K86.6Confident80.3Confident116 Ų11639 Ų3950%0.50419%0.191SC..THydrogen-bonded Turntrans-90.6-6.8175-62.2176.2-176.6179.10113.3F75 F76 D386F75-K78 WeakPolarHBondContact O-CB 3.34Å; F75-K78 PolarHBondContact O-N 3.37Å; F76-K78 PolarHBondContact O-N 3.3Å; K78-D386 IonicContact NZ-OD2 3.11Å; K78-D386 PolarHBondContact NZ-OD2 3.39Å; K78-D386 VanDerWaalsContact NZ-OD2 3.14Å
79T84.4Confident78.8Confident2 Ų241.3 Ų41.31%0.01220%0.202CC..SBendtrans-91.5155.3-171.6690000113.1F28 F75 F76 L81 C82 F83 Y379 A380F28-T79 HydrophobicContact CD2-CG2 3.9Å; F28-T79 HydrophobicContact CE2-CG2 3.72Å; F75-T79 VanDerWaalsContact O-CG2 3.26Å; F75-T79 WeakPolarHBondContact O-CG2 3.26Å; F76-T79 WeakPolarHBondContact O-CB 3.44Å; F76-T79 PolarHBondContact O-N 3.02Å; F76-T79 PolarHBondContact O-OG1 3.48Å; T79-L81 PolarHBondContact O-N 3Å; T79-L81 PolarHBondContact OG1-N 3.4Å; T79-C82 PolarHBondContact O-N 2.95Å; T79-C82 VanDerWaalsContact O-N 3.16Å; T79-C82 PolarHBondContact OG1-N 2.96Å; T79-C82 VanDerWaalsContact OG1-N 3.14Å; T79-F83 WeakPolarHBondContact O-CD2 3.4Å; T79-F83 PolarHBondContact O-N 3.15Å; T79-Y379 WeakPolarHBondContact CB-O 3.37Å; T79-Y379 WeakPolarHBondContact CG2-O 3.49Å; T79-A380 VanDerWaalsContact CG2-C 3.46Å
80N76.8Confident77.1Confident70 Ų7042.9 Ų42.937%0.37421%0.209SC..Hα-helixtrans-59.6-30.1167.6-71.6-28.7000112.2F83 H84 A537N80-F83 PolarHBondContact O-N 3.35Å; N80-H84 WeakPolarHBondContact O-CB 3.34Å; N80-H84 PolarHBondContact O-CD2 3.36Å; N80-H84 PolarHBondContact O-N 3.49Å; N80-A537 WeakPolarHBondContact ND2-CB 3.46Å
81L77.7Confident75.2Confident5 Ų539.9 Ų39.93%0.02620%0.199CC..Hα-helixtrans-61.4-42.5174.8-72.2172.3000111.8F24 T27 F28 F76 T79 H84 Y85 L536F24-L81 HydrophobicContact CD1-CB 4.3Å; F24-L81 HydrophobicContact CD1-CD2 4.1Å; F24-L81 VanDerWaalsContact CD1-O 3.27Å; F24-L81 WeakPolarHBondContact CD1-O 3.29Å; F24-L81 HydrophobicContact CE1-CD2 4.42Å; T27-L81 HydrophobicContact CG2-CD1 4.04Å; T27-L81 HydrophobicContact CG2-CD2 4.1Å; F28-L81 HydrophobicContact CB-CD1 3.94Å; F76-L81 HydrophobicContact CE2-CB 4.06Å; T79-L81 PolarHBondContact O-N 3Å; T79-L81 PolarHBondContact OG1-N 3.4Å; L81-H84 PolarHBondContact O-N 3.25Å; L81-Y85 WeakPolarHBondContact O-CB 3.28Å; L81-Y85 PolarHBondContact O-N 3.05Å; L81-L536 HydrophobicContact CD2-CD1 3.52Å
82C77.7Confident73.3Confident0 Ų039.9 Ų39.90%020%0.2CC..Hα-helixtrans-66.5-39.8175.3-179.10000111.7F76 T79 H84 Y85 I86F76-C82 HydrophobicContact CD1-CB 3.9Å; F76-C82 HydrophobicContact CD2-CB 4.35Å; F76-C82 HydrophobicContact CE1-CB 3.7Å; F76-C82 HydrophobicContact CE2-CB 4.19Å; F76-C82 HydrophobicContact CG-CB 4.23Å; F76-C82 HydrophobicContact CZ-CB 3.87Å; F76-C82 WeakPolarHBondContact O-CB 3.45Å; T79-C82 PolarHBondContact O-N 2.95Å; T79-C82 VanDerWaalsContact O-N 3.16Å; T79-C82 PolarHBondContact OG1-N 2.96Å; T79-C82 VanDerWaalsContact OG1-N 3.14Å; C82-H84 VanDerWaalsContact C-N 3.34Å; C82-H84 PolarHBondContact O-N 3.4Å; C82-Y85 WeakPolarHBondContact O-CB 3.47Å; C82-Y85 PolarHBondContact O-N 2.87Å; C82-I86 VanDerWaalsContact O-CG1 3.26Å; C82-I86 WeakPolarHBondContact O-CG1 3.47Å; C82-I86 PolarHBondContact O-N 3.23Å
83F71.4Confident71.1Confident98 Ų9843 Ų4343%0.4322%0.222SC..Hα-helixtrans-65.1-38.4175.6-62.1-46.3000112.7T79 N80 I86 L87T79-F83 WeakPolarHBondContact O-CD2 3.4Å; T79-F83 PolarHBondContact O-N 3.15Å; N80-F83 PolarHBondContact O-N 3.35Å; F83-I86 HydrophobicContact CD1-CD1 4.32Å; F83-I86 PolarHBondContact O-N 3.15Å; F83-L87 VanDerWaalsContact O-CB 3.3Å; F83-L87 WeakPolarHBondContact O-CB 3.28Å; F83-L87 PolarHBondContact O-N 3.1Å
84H65Low68.8Low40 Ų4044.6 Ų44.619%0.18523%0.229CC..Hα-helixtrans-69.5-35.6173.2-76.7-64000112F24 N80 L81 C82 L87 C88 L536F24-H84 HydrophobicContact CE1-CB 3.78Å; F24-H84 HydrophobicContact CZ-CB 4.23Å; N80-H84 WeakPolarHBondContact O-CB 3.34Å; N80-H84 PolarHBondContact O-CD2 3.36Å; N80-H84 PolarHBondContact O-N 3.49Å; L81-H84 PolarHBondContact O-N 3.25Å; C82-H84 VanDerWaalsContact C-N 3.34Å; C82-H84 PolarHBondContact O-N 3.4Å; H84-L87 CarbonylContact O-C 3.52Å; H84-L87 PolarHBondContact O-N 3.38Å; H84-C88 VanDerWaalsContact O-CB 3.3Å; H84-C88 WeakPolarHBondContact O-CB 3.42Å; H84-C88 PolarHBondContact O-N 3.16Å; H84-C88 PolarHBondContact O-SG 3.01Å; H84-L536 PolarHBondContact NE2-O 3.46Å
85Y72.6Confident66.2Low15 Ų1547 Ų476%0.05924%0.237CC..Hα-helixtrans-62.5-47.7170.6165.3-103.8000111.7I7 D18 I20 F21 F24 L81 C82 L87 C88 Q89I7-Y85 HydrophobicContact CD1-CD1 3.87Å; I7-Y85 HydrophobicContact CD1-CE1 3.67Å; I7-Y85 HydrophobicContact CG1-CE1 4.38Å; D18-Y85 WeakPolarHBondContact OD2-CE2 3.5Å; D18-Y85 PolarHBondContact OD2-OH 2.83Å; I20-Y85 HydrophobicContact CG2-CD2 4.04Å; I20-Y85 HydrophobicContact CG2-CE2 4.19Å; F21-Y85 HydrophobicContact CB-CD2 4.3Å; F21-Y85 HydrophobicContact CB-CE2 3.47Å; F21-Y85 VanDerWaalsContact CB-CE2 3.47Å; F21-Y85 HydrophobicContact CD2-CD1 4.25Å; F21-Y85 HydrophobicContact CD2-CD2 4.47Å; F21-Y85 AromaticContact CD2-CE1 3.75Å; F21-Y85 HydrophobicContact CD2-CE1 3.75Å; F21-Y85 HydrophobicContact CD2-CE2 4Å; F21-Y85 AromaticContact CD2-CZ 3.6Å; F21-Y85 HydrophobicContact CG-CE2 4.24Å; F24-Y85 HydrophobicContact CB-CD2 4.44Å; F24-Y85 AromaticContact CD2-CD2 3.99Å; F24-Y85 HydrophobicContact CD2-CD2 3.99Å; F24-Y85 HydrophobicContact CD2-CG 4.47Å; F24-Y85 HydrophobicContact CG-CD2 4.38Å; L81-Y85 WeakPolarHBondContact O-CB 3.28Å; L81-Y85 PolarHBondContact O-N 3.05Å; C82-Y85 WeakPolarHBondContact O-CB 3.47Å; C82-Y85 PolarHBondContact O-N 2.87Å; Y85-L87 VanDerWaalsContact C-N 3.3Å; Y85-L87 PolarHBondContact O-N 3.39Å; Y85-C88 CarbonylContact O-C 3.58Å; Y85-C88 WeakPolarHBondContact O-CB 3.29Å; Y85-C88 PolarHBondContact O-N 3.41Å; Y85-Q89 HydrophobicContact CD2-CG 4.02Å; Y85-Q89 HydrophobicContact CE1-CG 4.01Å; Y85-Q89 HydrophobicContact CE2-CG 3.36Å; Y85-Q89 WeakPolarHBondContact O-CB 3.22Å; Y85-Q89 PolarHBondContact O-N 3.13Å; Y85-Q89 WeakPolarHBondContact OH-CG 3.34Å
86I63.6Low63.7Low24 Ų2453.6 Ų53.612%0.12327%0.266CS..Hα-helixtrans-58.7-47.1174.9-68.7161.3000108.9A4 I7 C82 F83 C88 Q89 E90A4-I86 HydrophobicContact CB-CD1 4.14Å; I7-I86 HydrophobicContact CD1-CD1 3.85Å; I7-I86 HydrophobicContact CD1-CG1 3.42Å; I7-I86 VanDerWaalsContact CD1-CG1 3.42Å; C82-I86 VanDerWaalsContact O-CG1 3.26Å; C82-I86 WeakPolarHBondContact O-CG1 3.47Å; C82-I86 PolarHBondContact O-N 3.23Å; F83-I86 HydrophobicContact CD1-CD1 4.32Å; F83-I86 PolarHBondContact O-N 3.15Å; I86-C88 VanDerWaalsContact C-N 3.34Å; I86-C88 PolarHBondContact O-N 3.08Å; I86-Q89 PolarHBondContact O-N 3.04Å; I86-E90 HydrophobicContact CG2-CG 4.16Å; I86-E90 WeakPolarHBondContact O-CB 3.34Å; I86-E90 VanDerWaalsContact O-CG 3.26Å; I86-E90 WeakPolarHBondContact O-CG 3.47Å; I86-E90 PolarHBondContact O-N 2.97Å
87L58Low61.4Low47 Ų4756.6 Ų56.625%0.24629%0.287CS..Hα-helixtrans-59.3-44.3176.1179.263.3000111.4F83 H84 Y85 E90 L91 I109F83-L87 VanDerWaalsContact O-CB 3.3Å; F83-L87 WeakPolarHBondContact O-CB 3.28Å; F83-L87 PolarHBondContact O-N 3.1Å; H84-L87 CarbonylContact O-C 3.52Å; H84-L87 PolarHBondContact O-N 3.38Å; Y85-L87 VanDerWaalsContact C-N 3.3Å; Y85-L87 PolarHBondContact O-N 3.39Å; L87-E90 PolarHBondContact O-N 3.21Å; L87-L91 HydrophobicContact CD1-CD1 4.15Å; L87-L91 HydrophobicContact CD1-CG 4.15Å; L87-L91 HydrophobicContact CG-CD1 3.88Å; L87-L91 HydrophobicContact CG-CG 4.31Å; L87-L91 WeakPolarHBondContact O-CB 3.47Å; L87-L91 WeakPolarHBondContact O-CG 2.97Å; L87-L91 PolarHBondContact O-N 3.33Å; L87-I109 HydrophobicContact CD1-CD1 3.74Å; L87-I109 HydrophobicContact CD1-CG1 4.06Å; L87-I109 HydrophobicContact CD2-CD1 4.15Å
88C58.2Low59.1Low39 Ų3959.6 Ų59.626%0.26431%0.306SS..Hα-helixtrans-63.5-40.8175.8-75.70000111.7I20 F24 H84 Y85 I86 L91 I92I20-C88 HydrophobicContact CG2-CB 4.42Å; F24-C88 HydrophobicContact CE2-CB 4.28Å; H84-C88 VanDerWaalsContact O-CB 3.3Å; H84-C88 WeakPolarHBondContact O-CB 3.42Å; H84-C88 PolarHBondContact O-N 3.16Å; H84-C88 PolarHBondContact O-SG 3.01Å; Y85-C88 CarbonylContact O-C 3.58Å; Y85-C88 WeakPolarHBondContact O-CB 3.29Å; Y85-C88 PolarHBondContact O-N 3.41Å; I86-C88 VanDerWaalsContact C-N 3.34Å; I86-C88 PolarHBondContact O-N 3.08Å; C88-L91 CarbonylContact O-C 3.56Å; C88-L91 PolarHBondContact O-N 3.34Å; C88-I92 WeakPolarHBondContact O-CB 3.39Å; C88-I92 WeakPolarHBondContact O-CD1 3.26Å; C88-I92 WeakPolarHBondContact O-CG1 3.19Å; C88-I92 PolarHBondContact O-N 3.46Å
89Q59.1Low57.2Low49 Ų4955.8 Ų55.823%0.22929%0.29CS..Hα-helixtrans-68.9-40.4176.4-80.3-59.3-32.500112.1D18 Y85 I86 I92 S93D18-Q89 PolarHBondContact OD2-NE2 3.45Å; Y85-Q89 HydrophobicContact CD2-CG 4.02Å; Y85-Q89 HydrophobicContact CE1-CG 4.01Å; Y85-Q89 HydrophobicContact CE2-CG 3.36Å; Y85-Q89 WeakPolarHBondContact O-CB 3.22Å; Y85-Q89 PolarHBondContact O-N 3.13Å; Y85-Q89 WeakPolarHBondContact OH-CG 3.34Å; I86-Q89 PolarHBondContact O-N 3.04Å; Q89-I92 PolarHBondContact O-N 2.71Å; Q89-S93 WeakPolarHBondContact O-CA 3.42Å; Q89-S93 WeakPolarHBondContact O-CB 3.26Å; Q89-S93 PolarHBondContact O-N 3.46Å
90E54.3Low55.5Low95 Ų9556.8 Ų56.844%0.44430%0.301SS..Hα-helixtrans-63.5-45.5172.1-70-59149.100109.7I86 L87 I92 F94I86-E90 HydrophobicContact CG2-CG 4.16Å; I86-E90 WeakPolarHBondContact O-CB 3.34Å; I86-E90 VanDerWaalsContact O-CG 3.26Å; I86-E90 WeakPolarHBondContact O-CG 3.47Å; I86-E90 PolarHBondContact O-N 2.97Å; L87-E90 PolarHBondContact O-N 3.21Å; E90-I92 PolarHBondContact O-N 3.4Å; E90-F94 WeakPolarHBondContact O-CB 3.36Å; E90-F94 PolarHBondContact O-N 3.46Å
91L48.5Very low54.5Low62 Ų6254 Ų5433%0.32529%0.289SS..Hα-helixtrans-63.1-36.7175.1-74.5171.8000112.3L87 C88 F94 I95L87-L91 HydrophobicContact CD1-CD1 4.15Å; L87-L91 HydrophobicContact CD1-CG 4.15Å; L87-L91 HydrophobicContact CG-CD1 3.88Å; L87-L91 HydrophobicContact CG-CG 4.31Å; L87-L91 WeakPolarHBondContact O-CB 3.47Å; L87-L91 WeakPolarHBondContact O-CG 2.97Å; L87-L91 PolarHBondContact O-N 3.33Å; C88-L91 CarbonylContact O-C 3.56Å; C88-L91 PolarHBondContact O-N 3.34Å; L91-F94 HydrophobicContact CD2-CD1 4.32Å; L91-F94 HydrophobicContact CD2-CE1 4.35Å; L91-F94 CarbonylContact O-C 3.51Å; L91-F94 VanDerWaalsContact O-C 3.28Å; L91-F94 WeakPolarHBondContact O-CB 2.91Å; L91-F94 PolarHBondContact O-N 3.34Å; L91-I95 WeakPolarHBondContact O-CB 3.34Å; L91-I95 WeakPolarHBondContact O-CD1 3.29Å; L91-I95 WeakPolarHBondContact O-CG1 3.38Å; L91-I95 PolarHBondContact O-N 3.11Å
92I48.9Very low53.3Low45 Ų4561.5 Ų61.523%0.23132%0.324CS..Hα-helixtrans-80.9-37.5-179.1-72166.4000111.1I20 C88 Q89 E90 F94 I95 K96I20-I92 HydrophobicContact CD1-CD1 3.33Å; I20-I92 HydrophobicContact CG1-CD1 4.14Å; C88-I92 WeakPolarHBondContact O-CB 3.39Å; C88-I92 WeakPolarHBondContact O-CD1 3.26Å; C88-I92 WeakPolarHBondContact O-CG1 3.19Å; C88-I92 PolarHBondContact O-N 3.46Å; Q89-I92 PolarHBondContact O-N 2.71Å; E90-I92 PolarHBondContact O-N 3.4Å; I92-F94 PolarHBondContact O-N 3.01Å; I92-I95 HydrophobicContact CG1-CD1 4.33Å; I92-I95 PolarHBondContact O-N 3.17Å; I92-I95 VanDerWaalsContact O-N 3.16Å; I92-K96 HydrophobicContact CG2-CD 4.46Å; I92-K96 WeakPolarHBondContact O-CB 3.31Å; I92-K96 WeakPolarHBondContact O-CG 3.32Å; I92-K96 PolarHBondContact O-N 3.2Å
93S46.2Very low52.3Low70 Ų7064.4 Ų64.449%0.4934%0.337SS..Hα-helixtrans-57.4-37.6165.3-178.40000110.3Q89 K96 S97Q89-S93 WeakPolarHBondContact O-CA 3.42Å; Q89-S93 WeakPolarHBondContact O-CB 3.26Å; Q89-S93 PolarHBondContact O-N 3.46Å; S93-K96 CarbonylContact O-C 3.59Å; S93-K96 PolarHBondContact O-N 3.3Å; S93-S97 WeakPolarHBondContact O-CB 3.47Å; S93-S97 PolarHBondContact O-N 3.02Å
94F40.5Very low51.8Low38 Ų3860 Ų6017%0.16732%0.319CS..THydrogen-bonded Turntrans-82.7-13.5174.8177.2-100.9000115.4E90 L91 I92 S97 E99 V105E90-F94 WeakPolarHBondContact O-CB 3.36Å; E90-F94 PolarHBondContact O-N 3.46Å; L91-F94 HydrophobicContact CD2-CD1 4.32Å; L91-F94 HydrophobicContact CD2-CE1 4.35Å; L91-F94 CarbonylContact O-C 3.51Å; L91-F94 VanDerWaalsContact O-C 3.28Å; L91-F94 WeakPolarHBondContact O-CB 2.91Å; L91-F94 PolarHBondContact O-N 3.34Å; I92-F94 PolarHBondContact O-N 3.01Å; F94-S97 CarbonylContact C-O 3.45Å; F94-S97 WeakPolarHBondContact CA-O 3.23Å; F94-E99 VanDerWaalsContact CD2-O 3.29Å; F94-E99 WeakPolarHBondContact CD2-O 3.17Å; F94-E99 WeakPolarHBondContact CE1-O 3.15Å; F94-E99 WeakPolarHBondContact CE2-O 3.27Å; F94-E99 WeakPolarHBondContact CZ-O 3.44Å; F94-E99 VanDerWaalsContact O-CA 3.26Å; F94-E99 WeakPolarHBondContact O-CA 3.49Å; F94-E99 PolarHBondContact O-N 2.91Å; F94-E99 VanDerWaalsContact O-N 3.07Å; F94-V105 HydrophobicContact CZ-CG2 4.21Å
95I36.3Very low51.7Low111 Ų11159.4 Ų59.457%0.56932%0.318SS*.THydrogen-bonded Turntrans-84.8-31.7165.4-73156.8000108.9L91 I92L91-I95 WeakPolarHBondContact O-CB 3.34Å; L91-I95 WeakPolarHBondContact O-CD1 3.29Å; L91-I95 WeakPolarHBondContact O-CG1 3.38Å; L91-I95 PolarHBondContact O-N 3.11Å; I92-I95 HydrophobicContact CG1-CD1 4.33Å; I92-I95 PolarHBondContact O-N 3.17Å; I92-I95 VanDerWaalsContact O-N 3.16Å
96K37.1Very low51.2Low181 Ų18163.1 Ų63.179%0.78734%0.338SS*.THydrogen-bonded Turntrans-83-9.2174.7-71.1177.9179175.30114I92 S93I92-K96 HydrophobicContact CG2-CD 4.46Å; I92-K96 WeakPolarHBondContact O-CB 3.31Å; I92-K96 WeakPolarHBondContact O-CG 3.32Å; I92-K96 PolarHBondContact O-N 3.2Å; S93-K96 CarbonylContact O-C 3.59Å; S93-K96 PolarHBondContact O-N 3.3Å
97S40.1Very low51.8Low64 Ų6462 Ų6245%0.44833%0.332SS..THydrogen-bonded Turntrans-134.5126.8171.1129.30000107.2S93 F94 E99S93-S97 WeakPolarHBondContact O-CB 3.47Å; S93-S97 PolarHBondContact O-N 3.02Å; F94-S97 CarbonylContact C-O 3.45Å; F94-S97 WeakPolarHBondContact CA-O 3.23Å; S97-E99 PolarHBondContact O-N 3.12Å
98P37.6Very low52.6Low80 Ų8062.7 Ų62.752%0.51933%0.332SS..THydrogen-bonded Turntrans-7874.7-132.431.7-37.8000114.9L191P98-L191 WeakPolarHBondContact O-CD2 3.36Å; P98-L191 WeakPolarHBondContact O-CG 2.99Å
99E47Very low53.1Low36 Ų3662.7 Ų62.717%0.16833%0.329CS..  trans103.2-176.3138.6-64.7166.1-167.200125.8F94 S97 L191 Y195F94-E99 VanDerWaalsContact CD2-O 3.29Å; F94-E99 WeakPolarHBondContact CD2-O 3.17Å; F94-E99 WeakPolarHBondContact CE1-O 3.15Å; F94-E99 WeakPolarHBondContact CE2-O 3.27Å; F94-E99 WeakPolarHBondContact CZ-O 3.44Å; F94-E99 VanDerWaalsContact O-CA 3.26Å; F94-E99 WeakPolarHBondContact O-CA 3.49Å; F94-E99 PolarHBondContact O-N 2.91Å; F94-E99 VanDerWaalsContact O-N 3.07Å; S97-E99 PolarHBondContact O-N 3.12Å; E99-L191 VanDerWaalsContact CA-CD1 3.46Å; E99-L191 HydrophobicContact CB-CD1 3.59Å; E99-L191 HydrophobicContact CB-CD2 4.32Å; E99-L191 HydrophobicContact CB-CG 3.56Å; E99-L191 VanDerWaalsContact N-CD2 3.3Å; E99-L191 WeakPolarHBondContact O-CD1 3.36Å; E99-L191 WeakPolarHBondContact O-CD2 3.44Å; E99-L191 WeakPolarHBondContact O-CG 3.35Å; E99-Y195 WeakPolarHBondContact OE1-CD2 3.15Å; E99-Y195 VanDerWaalsContact OE2-CB 3.32Å; E99-Y195 WeakPolarHBondContact OE2-CB 3.37Å
100G49.8Very low53.8Low24 Ų2461.1 Ų61.125%0.24732%0.322CS..  trans-126.2-173171.800000120.2L191G100-L191 WeakPolarHBondContact O-CD1 3.47Å
101G54.9Low54.9Low11 Ų1156.6 Ų56.611%0.11330%0.301CS..  cis146.22-22.100000120.3E103 L104 V105 L186G101-E103 PolarHBondContact O-N 3.15Å; G101-L104 CarbonylContact O-C 3.48Å; G101-L104 WeakPolarHBondContact O-CA 3.19Å; G101-L104 WeakPolarHBondContact O-CB 3.43Å; G101-L104 PolarHBondContact O-N 3.2Å; G101-V105 WeakPolarHBondContact O-CB 3.4Å; G101-V105 WeakPolarHBondContact O-CG2 3.24Å; G101-V105 PolarHBondContact O-N 2.96Å; G101-L186 WeakPolarHBondContact O-CD2 3Å
102E52.6Low56.4Low162 Ų16257 Ų5776%0.75730%0.301SS*.Hα-helixtrans-52.2-54-154.3-63.1179.2164.900117.2L104 V105 D106E102-L104 VanDerWaalsContact C-N 3.3Å; E102-L104 PolarHBondContact O-N 2.72Å; E102-V105 PolarHBondContact O-N 3.21Å; E102-V105 VanDerWaalsContact O-N 3.16Å; E102-D106 PolarHBondContact O-N 3.06Å
103E56.5Low57.8Low61 Ų6159 Ų5929%0.28531%0.308SS..Hα-helixtrans-70-28.6-179.5-165.5-176.2154.600113.1G101 F107 R145 V146G101-E103 PolarHBondContact O-N 3.15Å; E103-F107 VanDerWaalsContact O-CB 3.26Å; E103-F107 WeakPolarHBondContact O-CB 3.49Å; E103-F107 PolarHBondContact O-N 2.94Å; E103-F107 VanDerWaalsContact O-N 3.14Å; E103-R145 PolarHBondContact OE1-N 3.14Å; E103-R145 WeakPolarHBondContact OE2-CB 3.46Å; E103-R145 WeakPolarHBondContact OE2-CD 3.43Å; E103-R145 IonicContact OE2-NH1 3.67Å; E103-V146 HydrophobicContact CG-CG2 4.08Å
104L61.3Low59.3Low7 Ų755.7 Ų55.74%0.03729%0.285CS..Hα-helixtrans-77.6-30173.9-81.6163.9000111.3G101 E102 W108 V146 L149 A182 K185 L186G101-L104 CarbonylContact O-C 3.48Å; G101-L104 WeakPolarHBondContact O-CA 3.19Å; G101-L104 WeakPolarHBondContact O-CB 3.43Å; G101-L104 PolarHBondContact O-N 3.2Å; E102-L104 VanDerWaalsContact C-N 3.3Å; E102-L104 PolarHBondContact O-N 2.72Å; L104-W108 WeakPolarHBondContact O-CB 3.44Å; L104-W108 PolarHBondContact O-N 2.81Å; L104-V146 HydrophobicContact CD2-CG2 4.45Å; L104-L149 HydrophobicContact CD1-CD1 3.84Å; L104-L149 HydrophobicContact CG-CD1 4.39Å; L104-A182 HydrophobicContact CD2-CB 3.37Å; L104-K185 HydrophobicContact CD1-CB 4.42Å; L104-L186 HydrophobicContact CB-CD1 3.92Å; L104-L186 HydrophobicContact CB-CD2 3.44Å; L104-L186 VanDerWaalsContact CB-CD2 3.44Å; L104-L186 HydrophobicContact CB-CG 3.71Å; L104-L186 HydrophobicContact CD1-CD2 3.69Å; L104-L186 HydrophobicContact CD1-CG 4.02Å; L104-L186 HydrophobicContact CG-CD2 4.21Å; L104-L186 HydrophobicContact CG-CG 4.45Å
105V62.4Low61.1Low27 Ų2755.3 Ų55.316%0.16428%0.284CS..Hα-helixtrans-73.8-46.6175.6168.50000109.7F94 G101 E102 F107 W108 I109 L186F94-V105 HydrophobicContact CZ-CG2 4.21Å; G101-V105 WeakPolarHBondContact O-CB 3.4Å; G101-V105 WeakPolarHBondContact O-CG2 3.24Å; G101-V105 PolarHBondContact O-N 2.96Å; E102-V105 PolarHBondContact O-N 3.21Å; E102-V105 VanDerWaalsContact O-N 3.16Å; V105-F107 VanDerWaalsContact C-N 3.31Å; V105-F107 PolarHBondContact O-N 3.2Å; V105-W108 PolarHBondContact O-N 2.95Å; V105-W108 VanDerWaalsContact O-N 3.11Å; V105-I109 HydrophobicContact CG1-CD1 3.76Å; V105-I109 HydrophobicContact CG1-CG1 4.38Å; V105-I109 WeakPolarHBondContact O-CB 3.07Å; V105-I109 VanDerWaalsContact O-CG1 3.24Å; V105-I109 WeakPolarHBondContact O-CG1 3.46Å; V105-I109 PolarHBondContact O-N 2.88Å; V105-L186 HydrophobicContact CG2-CD1 3.87Å; V105-L186 HydrophobicContact CG2-CD2 4.48Å
106D62.6Low63Low92 Ų9254 Ų5449%0.49229%0.286SS..Hα-helixtrans-59.7-43.8174.2-73-20.1000111.2E102 L110E102-D106 PolarHBondContact O-N 3.06Å; D106-L110 WeakPolarHBondContact O-CB 3.47Å; D106-L110 PolarHBondContact O-N 3.1Å
107F75Confident64.9Low0 Ų046.3 Ų46.30%025%0.252CS..Hα-helixtrans-62.2-44.6172169.6-103.7000112.5E103 V105 L110 A111 L135 H139 L140 V146 L175 M178 A182E103-F107 VanDerWaalsContact O-CB 3.26Å; E103-F107 WeakPolarHBondContact O-CB 3.49Å; E103-F107 PolarHBondContact O-N 2.94Å; E103-F107 VanDerWaalsContact O-N 3.14Å; V105-F107 VanDerWaalsContact C-N 3.31Å; V105-F107 PolarHBondContact O-N 3.2Å; F107-L110 PolarHBondContact O-N 2.87Å; F107-A111 VanDerWaalsContact O-CB 3.23Å; F107-A111 WeakPolarHBondContact O-CB 3.46Å; F107-A111 PolarHBondContact O-N 3.46Å; F107-L135 HydrophobicContact CD2-CD1 3.66Å; F107-L135 HydrophobicContact CE2-CD1 3.78Å; F107-H139 HydrophobicContact CB-CB 4.21Å; F107-H139 HydrophobicContact CD2-CB 3.63Å; F107-H139 HydrophobicContact CG-CB 4.34Å; F107-L140 HydrophobicContact CE2-CD2 4.11Å; F107-V146 HydrophobicContact CB-CG1 4.2Å; F107-V146 HydrophobicContact CB-CG2 3.8Å; F107-V146 HydrophobicContact CD1-CG1 3.55Å; F107-V146 HydrophobicContact CD2-CG1 3.74Å; F107-V146 HydrophobicContact CE1-CG1 3.76Å; F107-V146 HydrophobicContact CE2-CG1 3.94Å; F107-V146 HydrophobicContact CG-CB 4.43Å; F107-V146 HydrophobicContact CG-CG1 3.53Å; F107-V146 HydrophobicContact CG-CG2 4.09Å; F107-V146 HydrophobicContact CZ-CG1 3.95Å; F107-L175 HydrophobicContact CE2-CD1 4.32Å; F107-L175 HydrophobicContact CZ-CD1 4.23Å; F107-M178 HydrophobicContact CE1-CB 4.11Å; F107-M178 HydrophobicContact CE2-CE 4.48Å; F107-M178 HydrophobicContact CZ-CB 3.75Å; F107-M178 HydrophobicContact CZ-CE 4.06Å; F107-A182 HydrophobicContact CD1-CB 3.93Å; F107-A182 HydrophobicContact CE1-CB 4.01Å
108W76.3Confident66.2Low63 Ų6348 Ų4824%0.23926%0.257CS..Hα-helixtrans-64.5-42.9-178.7-172.1100.5000111.6L104 V105 A111 E112 Q179L104-W108 WeakPolarHBondContact O-CB 3.44Å; L104-W108 PolarHBondContact O-N 2.81Å; V105-W108 PolarHBondContact O-N 2.95Å; V105-W108 VanDerWaalsContact O-N 3.11Å; W108-A111 PolarHBondContact O-N 3.13Å; W108-E112 HydrophobicContact CE3-CB 4.47Å; W108-E112 HydrophobicContact CH2-CG 4.32Å; W108-E112 HydrophobicContact CZ3-CB 4.27Å; W108-E112 HydrophobicContact CZ3-CG 4.39Å; W108-E112 WeakPolarHBondContact O-CB 3.48Å; W108-E112 PolarHBondContact O-N 2.91Å; W108-Q179 HydrophobicContact CD2-CG 4.48Å; W108-Q179 HydrophobicContact CG-CG 4.01Å
109I69.1Low67.5Low38 Ų3846.1 Ų46.120%0.19524%0.241CC..Hα-helixtrans-62.8-45.1176.4-68.1165.8000110.5L87 V105 E112 K113L87-I109 HydrophobicContact CD1-CD1 3.74Å; L87-I109 HydrophobicContact CD1-CG1 4.06Å; L87-I109 HydrophobicContact CD2-CD1 4.15Å; V105-I109 HydrophobicContact CG1-CD1 3.76Å; V105-I109 HydrophobicContact CG1-CG1 4.38Å; V105-I109 WeakPolarHBondContact O-CB 3.07Å; V105-I109 VanDerWaalsContact O-CG1 3.24Å; V105-I109 WeakPolarHBondContact O-CG1 3.46Å; V105-I109 PolarHBondContact O-N 2.88Å; I109-E112 PolarHBondContact O-N 3.3Å; I109-K113 HydrophobicContact CG2-CD 4.38Å; I109-K113 WeakPolarHBondContact O-CG 3.48Å; I109-K113 PolarHBondContact O-N 3.27Å
110L73.8Confident68.2Low17 Ų1752.1 Ų52.19%0.08927%0.271CS..Hα-helixtrans-68.5-38.3-179.8-164.768.8000111.6D106 F107 I114 L131 M134 L135D106-L110 WeakPolarHBondContact O-CB 3.47Å; D106-L110 PolarHBondContact O-N 3.1Å; F107-L110 PolarHBondContact O-N 2.87Å; L110-I114 WeakPolarHBondContact O-CD1 3.44Å; L110-I114 VanDerWaalsContact O-CG1 3.3Å; L110-I114 WeakPolarHBondContact O-CG1 3.44Å; L110-I114 PolarHBondContact O-N 2.89Å; L110-L131 HydrophobicContact CD1-CD2 4.12Å; L110-M134 HydrophobicContact CD1-CG 4.42Å; L110-M134 HydrophobicContact CD1-SD 4.15Å; L110-M134 HydrophobicContact CD2-CG 4.11Å; L110-L135 HydrophobicContact CB-CD1 4.06Å; L110-L135 VanDerWaalsContact CD2-CA 3.42Å; L110-L135 HydrophobicContact CD2-CB 3.7Å; L110-L135 HydrophobicContact CD2-CD1 3.69Å; L110-L135 HydrophobicContact CD2-CG 4.3Å; L110-L135 HydrophobicContact CG-CB 4.27Å; L110-L135 HydrophobicContact CG-CD1 3.97Å
111A77.3Confident69Low0 Ų054.2 Ų54.20%028%0.276CS..Hα-helixtrans-64.9-43.3174.300000111.9F107 W108 K113 I114 L115 L175 Q179F107-A111 VanDerWaalsContact O-CB 3.23Å; F107-A111 WeakPolarHBondContact O-CB 3.46Å; F107-A111 PolarHBondContact O-N 3.46Å; W108-A111 PolarHBondContact O-N 3.13Å; A111-K113 PolarHBondContact O-N 2.99Å; A111-I114 PolarHBondContact O-N 3.48Å; A111-L115 VanDerWaalsContact O-CG 3.28Å; A111-L115 WeakPolarHBondContact O-CG 3.09Å; A111-L115 PolarHBondContact O-N 2.93Å; A111-L175 HydrophobicContact CB-CD1 3.93Å; A111-L175 HydrophobicContact CB-CD2 4.48Å; A111-L175 HydrophobicContact CB-CG 4.15Å; A111-Q179 HydrophobicContact CB-CB 4.37Å; A111-Q179 HydrophobicContact CB-CG 4.41Å
112E78.3Confident69.4Low71 Ų7159.7 Ų59.733%0.33230%0.302SS..Hα-helixtrans-64.2-42178.5-172.162.5-170.400111.6W108 I109 I114 L115 S116 Q179W108-E112 HydrophobicContact CE3-CB 4.47Å; W108-E112 HydrophobicContact CH2-CG 4.32Å; W108-E112 HydrophobicContact CZ3-CB 4.27Å; W108-E112 HydrophobicContact CZ3-CG 4.39Å; W108-E112 WeakPolarHBondContact O-CB 3.48Å; W108-E112 PolarHBondContact O-N 2.91Å; I109-E112 PolarHBondContact O-N 3.3Å; E112-I114 VanDerWaalsContact C-N 3.28Å; E112-I114 PolarHBondContact O-N 3.49Å; E112-L115 PolarHBondContact O-N 3.11Å; E112-S116 WeakPolarHBondContact O-CB 3.45Å; E112-S116 PolarHBondContact O-N 3.38Å; E112-S116 PolarHBondContact O-OG 2.94Å; E112-Q179 PolarHBondContact OE2-NE2 3.01Å
113K78.1Confident70Confident86 Ų8660 Ų6037%0.37430%0.304SS..Hα-helixtrans-56.9-42.7173.7-76.2176.8-179.9179.70111.7I109 A111 S116 I117 L131I109-K113 HydrophobicContact CG2-CD 4.38Å; I109-K113 WeakPolarHBondContact O-CG 3.48Å; I109-K113 PolarHBondContact O-N 3.27Å; A111-K113 PolarHBondContact O-N 2.99Å; K113-S116 PolarHBondContact O-N 3.4Å; K113-S116 PolarHBondContact O-OG 2.64Å; K113-I117 WeakPolarHBondContact O-CD1 3.36Å; K113-I117 WeakPolarHBondContact O-CG1 3.48Å; K113-L131 HydrophobicContact CB-CD1 4.36Å
114I77.9Confident70.3Confident1 Ų159.4 Ų59.41%0.00530%0.304CS..Hα-helixtrans-68.3-41.6177.9-67.3163.6000111.3L110 A111 E112 S116 I117 Y128 L131 L132 L135 L175L110-I114 WeakPolarHBondContact O-CD1 3.44Å; L110-I114 VanDerWaalsContact O-CG1 3.3Å; L110-I114 WeakPolarHBondContact O-CG1 3.44Å; L110-I114 PolarHBondContact O-N 2.89Å; A111-I114 PolarHBondContact O-N 3.48Å; E112-I114 VanDerWaalsContact C-N 3.28Å; E112-I114 PolarHBondContact O-N 3.49Å; I114-S116 VanDerWaalsContact C-N 3.28Å; I114-S116 PolarHBondContact O-N 2.98Å; I114-I117 PolarHBondContact O-N 3.49Å; I114-Y128 HydrophobicContact CG2-CD2 4.35Å; I114-Y128 HydrophobicContact CG2-CE2 3.64Å; I114-L131 HydrophobicContact CD1-CB 4.22Å; I114-L131 HydrophobicContact CG1-CB 3.72Å; I114-L132 HydrophobicContact CG2-CD1 4.05Å; I114-L135 HydrophobicContact CD1-CB 3.83Å; I114-L135 HydrophobicContact CD1-CD1 4.41Å; I114-L135 HydrophobicContact CD1-CD2 3.76Å; I114-L135 HydrophobicContact CD1-CG 4.21Å; I114-L175 HydrophobicContact CB-CD2 4.1Å; I114-L175 HydrophobicContact CG2-CD2 3.72Å
115L78.6Confident70.5Confident29 Ų2963.7 Ų63.715%0.15232%0.32CS..Hα-helixtrans-70.7-22.9179.4-66.5174.8000113.2A111 E112 R172 L175 Q179A111-L115 VanDerWaalsContact O-CG 3.28Å; A111-L115 WeakPolarHBondContact O-CG 3.09Å; A111-L115 PolarHBondContact O-N 2.93Å; E112-L115 PolarHBondContact O-N 3.11Å; L115-R172 HydrophobicContact CD2-CB 4.46Å; L115-R172 HydrophobicContact CD2-CG 3.57Å; L115-R172 PolarHBondContact O-NH2 3.04Å; L115-L175 HydrophobicContact CD2-CD2 4.21Å; L115-L175 HydrophobicContact CD2-CG 4.5Å; L115-L175 HydrophobicContact CG-CD2 4.28Å; L115-Q179 VanDerWaalsContact CD1-OE1 3.27Å
116S76.1Confident70.4Confident85 Ų8567.3 Ų67.359%0.59434%0.338SS*.Hα-helixtrans-79-17.6178.273.90000114.6E112 K113 I114E112-S116 WeakPolarHBondContact O-CB 3.45Å; E112-S116 PolarHBondContact O-N 3.38Å; E112-S116 PolarHBondContact O-OG 2.94Å; K113-S116 PolarHBondContact O-N 3.4Å; K113-S116 PolarHBondContact O-OG 2.64Å; I114-S116 VanDerWaalsContact C-N 3.28Å; I114-S116 PolarHBondContact O-N 2.98Å
117I78Confident70.9Confident18 Ų1869.1 Ų69.19%0.09234%0.339CS..SBendtrans-87.6131.6-178.7-63.3162.4000109.9K113 I114 E119 V124 Y127 Y128 L131 R172K113-I117 WeakPolarHBondContact O-CD1 3.36Å; K113-I117 WeakPolarHBondContact O-CG1 3.48Å; I114-I117 PolarHBondContact O-N 3.49Å; I117-E119 PolarHBondContact O-N 3.26Å; I117-V124 HydrophobicContact CG2-CB 4.23Å; I117-V124 HydrophobicContact CG2-CG1 4.13Å; I117-Y127 HydrophobicContact CD1-CD1 3.76Å; I117-Y127 HydrophobicContact CD1-CE1 3.83Å; I117-Y128 HydrophobicContact CB-CD2 3.97Å; I117-Y128 HydrophobicContact CD1-CD2 4.26Å; I117-Y128 HydrophobicContact CG2-CD2 3.94Å; I117-Y128 HydrophobicContact CG2-CG 4.44Å; I117-L131 HydrophobicContact CD1-CD1 3.57Å; I117-R172 PolarHBondContact O-NH2 2.6Å
118D67.8Low70.8Confident101 Ų10169.7 Ų69.754%0.5434%0.341SS..  trans-72.5114170.9-170-6.4000110M120 D121D118-M120 PolarHBondContact O-N 2.75Å; D118-M120 WeakPolarHBondContact OD1-CB 3.4Å; D118-M120 PolarHBondContact OD1-N 2.77Å; D118-D121 HydrophobicContact CB-CB 4.44Å; D118-D121 WeakPolarHBondContact O-CB 3.2Å; D118-D121 PolarHBondContact O-N 3.38Å; D118-D121 VanDerWaalsContact O-N 3.17Å
119E64.7Low70.3Confident40 Ų4068.6 Ų68.619%0.18734%0.34CS..THydrogen-bonded Turntrans-65.5-19.2-178.6-62.2-176.3-165.400112.6I117 D121 Y128 R171 R172I117-E119 PolarHBondContact O-N 3.26Å; E119-D121 VanDerWaalsContact C-N 3.33Å; E119-Y128 HydrophobicContact CG-CD2 4.47Å; E119-Y128 HydrophobicContact CG-CE1 4.28Å; E119-Y128 HydrophobicContact CG-CE2 3.76Å; E119-Y128 PolarHBondContact OE1-OH 3.14Å; E119-R171 IonicContact OE1-NH2 2.75Å; E119-R171 PolarHBondContact OE1-NH2 3.39Å; E119-R171 IonicContact OE2-NH2 3.87Å; E119-R171 PolarHBondContact OE2-NH2 3.38Å; E119-R172 VanDerWaalsContact OE1-CD 3.31Å; E119-R172 WeakPolarHBondContact OE1-CD 3.34Å; E119-R172 IonicContact OE1-NE 3.47Å; E119-R172 PolarHBondContact OE1-NE 3.06Å; E119-R172 VanDerWaalsContact OE1-NE 3.11Å
120M60.8Low70.3Confident162 Ų16270.1 Ų70.180%0.79835%0.354SS*.THydrogen-bonded Turntrans-85-8.6179.9-57.1-55.9-64.200112.8D118 L122D118-M120 PolarHBondContact O-N 2.75Å; D118-M120 WeakPolarHBondContact OD1-CB 3.4Å; D118-M120 PolarHBondContact OD1-N 2.77Å; M120-L122 PolarHBondContact O-N 2.81Å
121D68Low70.3Confident67 Ų6770.1 Ų70.136%0.35835%0.354SS..  trans-81.5112.2176.3-165.6-20.8000110.9D118 E119 E123 V124 R125D118-D121 HydrophobicContact CB-CB 4.44Å; D118-D121 WeakPolarHBondContact O-CB 3.2Å; D118-D121 PolarHBondContact O-N 3.38Å; D118-D121 VanDerWaalsContact O-N 3.17Å; E119-D121 VanDerWaalsContact C-N 3.33Å; D121-E123 VanDerWaalsContact C-N 3.25Å; D121-E123 PolarHBondContact O-N 3.22Å; D121-E123 PolarHBondContact OD1-N 3.36Å; D121-V124 HydrophobicContact CB-CG2 4.05Å; D121-V124 PolarHBondContact O-N 3.03Å; D121-V124 WeakPolarHBondContact OD2-CG2 3.28Å; D121-R125 PolarHBondContact O-N 2.79Å
122L62.4Low69.9Low126 Ų12671.5 Ų71.566%0.6636%0.362SS*.THydrogen-bonded Turntrans-68.8-21.7-178.2-67.8171.3000113M120M120-L122 PolarHBondContact O-N 2.81Å
123E64.3Low69.5Low170 Ų17072.6 Ų72.679%0.79437%0.369SS*.THydrogen-bonded Turntrans-79.2-29.5-178.8-63.5-171.4174.900112.3D121D121-E123 VanDerWaalsContact C-N 3.25Å; D121-E123 PolarHBondContact O-N 3.22Å; D121-E123 PolarHBondContact OD1-N 3.36Å
124V64.4Low69.1Low48 Ų4873.5 Ų73.529%0.29138%0.376SS..THydrogen-bonded Turntrans-103.4-2.5-174.6-147.80000112.3I117 D121 D126 Y127 Y128I117-V124 HydrophobicContact CG2-CB 4.23Å; I117-V124 HydrophobicContact CG2-CG1 4.13Å; D121-V124 HydrophobicContact CB-CG2 4.05Å; D121-V124 PolarHBondContact O-N 3.03Å; D121-V124 WeakPolarHBondContact OD2-CG2 3.28Å; V124-D126 VanDerWaalsContact C-N 3.35Å; V124-D126 PolarHBondContact O-N 3.17Å; V124-Y127 HydrophobicContact CG1-CD1 3.89Å; V124-Y127 HydrophobicContact CG1-CG 4.49Å; V124-Y127 WeakPolarHBondContact O-CB 3.47Å; V124-Y127 PolarHBondContact O-N 3.09Å; V124-Y127 VanDerWaalsContact O-N 3.16Å; V124-Y128 PolarHBondContact O-N 3.49Å
125R64.3Low69Low97 Ų9773.6 Ų73.637%0.36638%0.377SS..Hα-helixtrans-55.6-43.9-176.7-174.5-17764.4-164.1-4.6113.5D121 Y127 Y128 L129D121-R125 PolarHBondContact O-N 2.79Å; R125-Y127 VanDerWaalsContact C-N 3.31Å; R125-Y127 PolarHBondContact O-N 3.47Å; R125-Y128 WeakPolarHBondContact O-CB 3.27Å; R125-Y128 PolarHBondContact O-N 3.32Å; R125-L129 HydrophobicContact CG-CD1 4.23Å; R125-L129 VanDerWaalsContact O-CG 3.28Å; R125-L129 WeakPolarHBondContact O-CG 3.24Å; R125-L129 PolarHBondContact O-N 2.97Å
126D61.7Low68.6Low102 Ų10277 Ų7755%0.54539%0.387SS..Hα-helixtrans-71.8-31.4-176.9-62.1-12.8000111.3V124 S130V124-D126 VanDerWaalsContact C-N 3.35Å; V124-D126 PolarHBondContact O-N 3.17Å; D126-S130 WeakPolarHBondContact O-CB 3.32Å; D126-S130 PolarHBondContact O-N 3.44Å; D126-S130 VanDerWaalsContact O-N 3.07Å; D126-S130 PolarHBondContact O-OG 3.3Å
127Y71.3Confident68Low130 Ų13075.7 Ų75.751%0.5138%0.381SS..Hα-helixtrans-69.9-44.1172.7178.5-114000111.5I117 V124 R125 L129 S130 L131I117-Y127 HydrophobicContact CD1-CD1 3.76Å; I117-Y127 HydrophobicContact CD1-CE1 3.83Å; V124-Y127 HydrophobicContact CG1-CD1 3.89Å; V124-Y127 HydrophobicContact CG1-CG 4.49Å; V124-Y127 WeakPolarHBondContact O-CB 3.47Å; V124-Y127 PolarHBondContact O-N 3.09Å; V124-Y127 VanDerWaalsContact O-N 3.16Å; R125-Y127 VanDerWaalsContact C-N 3.31Å; R125-Y127 PolarHBondContact O-N 3.47Å; Y127-L129 PolarHBondContact O-N 3.42Å; Y127-S130 WeakPolarHBondContact O-CB 3.47Å; Y127-S130 PolarHBondContact O-N 2.94Å; Y127-L131 HydrophobicContact CD1-CD1 4.08Å; Y127-L131 HydrophobicContact CE1-CD1 3.61Å; Y127-L131 HydrophobicContact CE1-CG 4.45Å; Y127-L131 HydrophobicContact CE2-CD1 4.33Å; Y127-L131 HydrophobicContact CE2-CD2 4.48Å; Y127-L131 HydrophobicContact CE2-CG 4.35Å; Y127-L131 WeakPolarHBondContact O-CG 3.03Å; Y127-L131 PolarHBondContact O-N 3.32Å
128Y73.4Confident67.1Low12 Ų1278.2 Ų78.25%0.04740%0.398CS..Hα-helixtrans-56.3-48173176.7-94.4000112.4I114 I117 E119 V124 R125 S130 L131 L132 R171I114-Y128 HydrophobicContact CG2-CD2 4.35Å; I114-Y128 HydrophobicContact CG2-CE2 3.64Å; I117-Y128 HydrophobicContact CB-CD2 3.97Å; I117-Y128 HydrophobicContact CD1-CD2 4.26Å; I117-Y128 HydrophobicContact CG2-CD2 3.94Å; I117-Y128 HydrophobicContact CG2-CG 4.44Å; E119-Y128 HydrophobicContact CG-CD2 4.47Å; E119-Y128 HydrophobicContact CG-CE1 4.28Å; E119-Y128 HydrophobicContact CG-CE2 3.76Å; E119-Y128 PolarHBondContact OE1-OH 3.14Å; V124-Y128 PolarHBondContact O-N 3.49Å; R125-Y128 WeakPolarHBondContact O-CB 3.27Å; R125-Y128 PolarHBondContact O-N 3.32Å; Y128-S130 VanDerWaalsContact C-N 3.31Å; Y128-S130 PolarHBondContact O-N 2.76Å; Y128-L131 PolarHBondContact O-N 3.07Å; Y128-L132 HydrophobicContact CE1-CD1 4.49Å; Y128-L132 PolarHBondContact O-N 3.39Å; Y128-R171 PolarHBondContact OH-NH1 2.63Å; Y128-R171 PolarHBondContact OH-NH2 2.97Å
129L66.6Low67.2Low40 Ų4074.4 Ų74.421%0.20938%0.377CS..Hα-helixtrans-62-39.2177.6-72170.8000111.8R125 Y127 L132 L133 I162R125-L129 HydrophobicContact CG-CD1 4.23Å; R125-L129 VanDerWaalsContact O-CG 3.28Å; R125-L129 WeakPolarHBondContact O-CG 3.24Å; R125-L129 PolarHBondContact O-N 2.97Å; Y127-L129 PolarHBondContact O-N 3.42Å; L129-L132 PolarHBondContact O-N 2.74Å; L129-L133 WeakPolarHBondContact O-CB 3.44Å; L129-L133 VanDerWaalsContact O-CG 3.27Å; L129-L133 WeakPolarHBondContact O-CG 3.48Å; L129-L133 PolarHBondContact O-N 2.98Å; L129-I162 HydrophobicContact CD2-CG2 3.59Å
130S69.4Low67.4Low71 Ų7173 Ų7350%0.49737%0.371SS..Hα-helixtrans-63.3-43177-600000112.2D126 Y127 Y128 L133 M134D126-S130 WeakPolarHBondContact O-CB 3.32Å; D126-S130 PolarHBondContact O-N 3.44Å; D126-S130 VanDerWaalsContact O-N 3.07Å; D126-S130 PolarHBondContact O-OG 3.3Å; Y127-S130 WeakPolarHBondContact O-CB 3.47Å; Y127-S130 PolarHBondContact O-N 2.94Å; Y128-S130 VanDerWaalsContact C-N 3.31Å; Y128-S130 PolarHBondContact O-N 2.76Å; S130-L133 PolarHBondContact O-N 3.06Å; S130-M134 WeakPolarHBondContact O-CB 3.32Å; S130-M134 PolarHBondContact O-N 3.05Å
131L72.3Confident67.7Low16 Ų1670.3 Ų70.38%0.08436%0.356CS..Hα-helixtrans-66.7-38.8176.1-68.8174.5000112.1L110 K113 I114 I117 Y127 Y128 M134 L135L110-L131 HydrophobicContact CD1-CD2 4.12Å; K113-L131 HydrophobicContact CB-CD1 4.36Å; I114-L131 HydrophobicContact CD1-CB 4.22Å; I114-L131 HydrophobicContact CG1-CB 3.72Å; I117-L131 HydrophobicContact CD1-CD1 3.57Å; Y127-L131 HydrophobicContact CD1-CD1 4.08Å; Y127-L131 HydrophobicContact CE1-CD1 3.61Å; Y127-L131 HydrophobicContact CE1-CG 4.45Å; Y127-L131 HydrophobicContact CE2-CD1 4.33Å; Y127-L131 HydrophobicContact CE2-CD2 4.48Å; Y127-L131 HydrophobicContact CE2-CG 4.35Å; Y127-L131 WeakPolarHBondContact O-CG 3.03Å; Y127-L131 PolarHBondContact O-N 3.32Å; Y128-L131 PolarHBondContact O-N 3.07Å; L131-M134 WeakPolarHBondContact O-CB 3.41Å; L131-M134 PolarHBondContact O-N 3.14Å; L131-L135 WeakPolarHBondContact O-CB 3.38Å; L131-L135 PolarHBondContact O-N 3.43Å
132L70.6Confident67.2Low30 Ų3075.5 Ų75.516%0.15738%0.378CS..Hα-helixtrans-65.1-41.1176.7-156.995.7000112I114 Y128 L129 M134 L135 R136I114-L132 HydrophobicContact CG2-CD1 4.05Å; Y128-L132 HydrophobicContact CE1-CD1 4.49Å; Y128-L132 PolarHBondContact O-N 3.39Å; L129-L132 PolarHBondContact O-N 2.74Å; L132-M134 VanDerWaalsContact C-N 3.34Å; L132-L135 PolarHBondContact O-N 2.87Å; L132-R136 WeakPolarHBondContact O-CB 3.5Å; L132-R136 PolarHBondContact O-N 2.91Å
133L68.9Low66.7Low94 Ų9473.2 Ų73.249%0.49239%0.385SS..Hα-helixtrans-64.5-40.3174.7-73.9168.4000111.2L129 S130 R136 A137L129-L133 WeakPolarHBondContact O-CB 3.44Å; L129-L133 VanDerWaalsContact O-CG 3.27Å; L129-L133 WeakPolarHBondContact O-CG 3.48Å; L129-L133 PolarHBondContact O-N 2.98Å; S130-L133 PolarHBondContact O-N 3.06Å; L133-R136 PolarHBondContact O-N 2.9Å; L133-A137 VanDerWaalsContact O-CB 3.27Å; L133-A137 WeakPolarHBondContact O-CB 3.49Å; L133-A137 PolarHBondContact O-N 3.11Å
134M69.5Low66.7Low104 Ų10465.5 Ų65.551%0.51235%0.35SS..Hα-helixtrans-61.8-49174.3-177.5170.9-84.400111.4L110 S130 L131 L132 R136 A137 T138L110-M134 HydrophobicContact CD1-CG 4.42Å; L110-M134 HydrophobicContact CD1-SD 4.15Å; L110-M134 HydrophobicContact CD2-CG 4.11Å; S130-M134 WeakPolarHBondContact O-CB 3.32Å; S130-M134 PolarHBondContact O-N 3.05Å; L131-M134 WeakPolarHBondContact O-CB 3.41Å; L131-M134 PolarHBondContact O-N 3.14Å; L132-M134 VanDerWaalsContact C-N 3.34Å; M134-R136 VanDerWaalsContact C-N 3.27Å; M134-R136 PolarHBondContact O-N 3.36Å; M134-A137 PolarHBondContact O-N 3.43Å; M134-T138 HydrophobicContact CG-CG2 4.49Å; M134-T138 PolarHBondContact O-N 3.3Å; M134-T138 PolarHBondContact O-OG1 3.21Å
135L76.4Confident66.5Low4 Ų470.8 Ų70.82%0.02137%0.365CS..Hα-helixtrans-57.1-41.2177.4-175.883.1000112F107 L110 I114 L131 L132 H139 L140 L175F107-L135 HydrophobicContact CD2-CD1 3.66Å; F107-L135 HydrophobicContact CE2-CD1 3.78Å; L110-L135 HydrophobicContact CB-CD1 4.06Å; L110-L135 VanDerWaalsContact CD2-CA 3.42Å; L110-L135 HydrophobicContact CD2-CB 3.7Å; L110-L135 HydrophobicContact CD2-CD1 3.69Å; L110-L135 HydrophobicContact CD2-CG 4.3Å; L110-L135 HydrophobicContact CG-CB 4.27Å; L110-L135 HydrophobicContact CG-CD1 3.97Å; I114-L135 HydrophobicContact CD1-CB 3.83Å; I114-L135 HydrophobicContact CD1-CD1 4.41Å; I114-L135 HydrophobicContact CD1-CD2 3.76Å; I114-L135 HydrophobicContact CD1-CG 4.21Å; L131-L135 WeakPolarHBondContact O-CB 3.38Å; L131-L135 PolarHBondContact O-N 3.43Å; L132-L135 PolarHBondContact O-N 2.87Å; L135-H139 PolarHBondContact O-N 3.28Å; L135-L140 HydrophobicContact CD2-CD1 3.75Å; L135-L140 HydrophobicContact CG-CD1 3.94Å; L135-L140 HydrophobicContact CG-CG 4.33Å; L135-L140 PolarHBondContact O-N 2.96Å; L135-L175 HydrophobicContact CD2-CD1 3.56Å; L135-L175 HydrophobicContact CD2-CD2 4.25Å
136R68.9Low66.5Low100 Ų10066.2 Ų66.238%0.37735%0.347SS..Hα-helixtrans-66.8-40.4175.9-170.3179.5179.8160.36.5112.3L132 L133 M134 Q141 L158L132-R136 WeakPolarHBondContact O-CB 3.5Å; L132-R136 PolarHBondContact O-N 2.91Å; L133-R136 PolarHBondContact O-N 2.9Å; M134-R136 VanDerWaalsContact C-N 3.27Å; M134-R136 PolarHBondContact O-N 3.36Å; R136-Q141 WeakPolarHBondContact O-CG 3.14Å; R136-L158 HydrophobicContact CG-CD2 3.96Å; R136-L158 PolarHBondContact NH2-O 3.19Å
137A63.7Low66.7Low57 Ų5762.2 Ų62.247%0.47133%0.327SS..Hα-helixtrans-75.7-21.3-177.400000113.7L133 M134 Q141L133-A137 VanDerWaalsContact O-CB 3.27Å; L133-A137 WeakPolarHBondContact O-CB 3.49Å; L133-A137 PolarHBondContact O-N 3.11Å; M134-A137 PolarHBondContact O-N 3.43Å; A137-Q141 PolarHBondContact O-NE2 3.38Å
138T60.2Low66.2Low71 Ų7160.9 Ų60.944%0.43633%0.332SS..Hα-helixtrans-111.8-43.7-175.858.30000113.8M134M134-T138 HydrophobicContact CG-CG2 4.49Å; M134-T138 PolarHBondContact O-N 3.3Å; M134-T138 PolarHBondContact O-OG1 3.21Å
139H68.4Low65.7Low21 Ų2162.9 Ų62.910%0.09734%0.343CS..THydrogen-bonded Turntrans-117.9-12.3-168.1-57.3-66.5000114.7F107 L135 S144 V146F107-H139 HydrophobicContact CB-CB 4.21Å; F107-H139 HydrophobicContact CD2-CB 3.63Å; F107-H139 HydrophobicContact CG-CB 4.34Å; L135-H139 PolarHBondContact O-N 3.28Å; H139-S144 VanDerWaalsContact O-CB 3.26Å; H139-S144 WeakPolarHBondContact O-CB 3.5Å; H139-S144 PolarHBondContact O-OG 2.86Å; H139-V146 HydrophobicContact CB-CG2 4.33Å
140L69.9Low65.6Low12 Ų1261.3 Ų61.36%0.06334%0.336CS..SBendtrans-116.140.6-178.9-55.5173000113.5F107 L135 V147 I154 M178F107-L140 HydrophobicContact CE2-CD2 4.11Å; L135-L140 HydrophobicContact CD2-CD1 3.75Å; L135-L140 HydrophobicContact CG-CD1 3.94Å; L135-L140 HydrophobicContact CG-CG 4.33Å; L135-L140 PolarHBondContact O-N 2.96Å; L140-V147 HydrophobicContact CD2-CG2 4.45Å; L140-I154 HydrophobicContact CB-CG2 4.42Å; L140-M178 HydrophobicContact CD2-CE 3.45Å; L140-M178 VanDerWaalsContact CD2-CE 3.45Å; L140-M178 HydrophobicContact CD2-SD 4.12Å
141Q66.2Low65Low105 Ų10564.8 Ų64.849%0.49135%0.349SS..SBendtrans-100158.8175.4-62.7-168.7-11.400112.7R136 A137 G143 S144R136-Q141 WeakPolarHBondContact O-CG 3.14Å; A137-Q141 PolarHBondContact O-NE2 3.38Å; Q141-G143 PolarHBondContact O-N 3.38Å; Q141-S144 VanDerWaalsContact O-CB 3.31Å; Q141-S144 WeakPolarHBondContact O-CB 3.24Å; Q141-S144 PolarHBondContact O-N 3.09Å
142E57.4Low64.5Low175 Ų17567.8 Ų67.882%0.81836%0.363SS*.THydrogen-bonded Turntrans-61.6115.7167.7-74.5-177.9170.600109.1
143G52.7Low63.8Low78 Ų7871.8 Ų71.880%0.80439%0.385SS*.THydrogen-bonded Turntrans102.3-4.1-173.800000115.5Q141Q141-G143 PolarHBondContact O-N 3.38Å
144S63.6Low63.3Low9 Ų968.2 Ų68.26%0.06337%0.366CS..  trans-65.2134.4171.2164.70000111.6H139 Q141 V146 V147 T148H139-S144 VanDerWaalsContact O-CB 3.26Å; H139-S144 WeakPolarHBondContact O-CB 3.5Å; H139-S144 PolarHBondContact O-OG 2.86Å; Q141-S144 VanDerWaalsContact O-CB 3.31Å; Q141-S144 WeakPolarHBondContact O-CB 3.24Å; Q141-S144 PolarHBondContact O-N 3.09Å; S144-V146 VanDerWaalsContact C-N 3.3Å; S144-V146 PolarHBondContact O-N 2.87Å; S144-V146 PolarHBondContact OG-N 2.83Å; S144-V147 PolarHBondContact O-N 3.18Å; S144-T148 PolarHBondContact O-N 3.34Å; S144-T148 VanDerWaalsContact O-N 3.16Å; S144-T148 PolarHBondContact O-OG1 3.41Å
145R60.3Low62.7Low159 Ų15970.3 Ų70.360%0.637%0.372SS*.Hα-helixtrans-68.4-31.8178.1-71.6161.4151.9-177.6-0.6111.5E103 V147 T148 L149E103-R145 PolarHBondContact OE1-N 3.14Å; E103-R145 WeakPolarHBondContact OE2-CB 3.46Å; E103-R145 WeakPolarHBondContact OE2-CD 3.43Å; E103-R145 IonicContact OE2-NH1 3.67Å; R145-V147 VanDerWaalsContact C-N 3.29Å; R145-V147 PolarHBondContact O-N 2.74Å; R145-T148 PolarHBondContact O-N 2.85Å; R145-L149 HydrophobicContact CB-CD1 4.43Å; R145-L149 VanDerWaalsContact O-CB 3.28Å; R145-L149 WeakPolarHBondContact O-CB 3.47Å; R145-L149 WeakPolarHBondContact O-CG 3.29Å; R145-L149 PolarHBondContact O-N 3.25Å
146V65.4Low61.7Low0 Ų072.9 Ų72.90%039%0.39CS..Hα-helixtrans-58.2-45174.6177.20000110.4E103 L104 F107 H139 S144 L149 C150 M178E103-V146 HydrophobicContact CG-CG2 4.08Å; L104-V146 HydrophobicContact CD2-CG2 4.45Å; F107-V146 HydrophobicContact CB-CG1 4.2Å; F107-V146 HydrophobicContact CB-CG2 3.8Å; F107-V146 HydrophobicContact CD1-CG1 3.55Å; F107-V146 HydrophobicContact CD2-CG1 3.74Å; F107-V146 HydrophobicContact CE1-CG1 3.76Å; F107-V146 HydrophobicContact CE2-CG1 3.94Å; F107-V146 HydrophobicContact CG-CB 4.43Å; F107-V146 HydrophobicContact CG-CG1 3.53Å; F107-V146 HydrophobicContact CG-CG2 4.09Å; F107-V146 HydrophobicContact CZ-CG1 3.95Å; H139-V146 HydrophobicContact CB-CG2 4.33Å; S144-V146 VanDerWaalsContact C-N 3.3Å; S144-V146 PolarHBondContact O-N 2.87Å; S144-V146 PolarHBondContact OG-N 2.83Å; V146-L149 PolarHBondContact O-N 2.67Å; V146-C150 VanDerWaalsContact O-CB 3.25Å; V146-C150 WeakPolarHBondContact O-CB 3.32Å; V146-C150 PolarHBondContact O-N 3.23Å; V146-C150 PolarHBondContact O-SG 2.65Å; V146-C150 VanDerWaalsContact O-SG 3.33Å; V146-M178 HydrophobicContact CG1-CE 4.4Å
147V65.6Low61.2Low19 Ų1969.4 Ų69.412%0.11538%0.379CS..Hα-helixtrans-64.2-46.4177.3172.60000110.7L140 S144 R145 L149 N151 I154L140-V147 HydrophobicContact CD2-CG2 4.45Å; S144-V147 PolarHBondContact O-N 3.18Å; R145-V147 VanDerWaalsContact C-N 3.29Å; R145-V147 PolarHBondContact O-N 2.74Å; V147-L149 VanDerWaalsContact C-N 3.29Å; V147-L149 PolarHBondContact O-N 3.18Å; V147-N151 PolarHBondContact O-N 2.96Å; V147-N151 VanDerWaalsContact O-N 3.17Å; V147-I154 HydrophobicContact CB-CD1 4Å; V147-I154 HydrophobicContact CB-CG1 4.13Å; V147-I154 HydrophobicContact CG1-CD1 3.48Å; V147-I154 VanDerWaalsContact CG1-CD1 3.48Å; V147-I154 HydrophobicContact CG1-CG1 3.26Å; V147-I154 HydrophobicContact CG2-CD1 3.48Å; V147-I154 VanDerWaalsContact CG2-CD1 3.48Å; V147-I154 HydrophobicContact CG2-CG1 3.77Å
148T61.8Low60.9Low102 Ų10269.3 Ų69.363%0.62637%0.37SS*.Hα-helixtrans-63.4-37.5-178.2-42.40000111.4S144 R145S144-T148 PolarHBondContact O-N 3.34Å; S144-T148 VanDerWaalsContact O-N 3.16Å; S144-T148 PolarHBondContact O-OG1 3.41Å; R145-T148 PolarHBondContact O-N 2.85Å
149L61.3Low60.5Low53 Ų5370.3 Ų70.328%0.27738%0.381SS..Hα-helixtrans-81.6-34-177.4-69169.8000113.5L104 R145 V146 V147 N151L104-L149 HydrophobicContact CD1-CD1 3.84Å; L104-L149 HydrophobicContact CG-CD1 4.39Å; R145-L149 HydrophobicContact CB-CD1 4.43Å; R145-L149 VanDerWaalsContact O-CB 3.28Å; R145-L149 WeakPolarHBondContact O-CB 3.47Å; R145-L149 WeakPolarHBondContact O-CG 3.29Å; R145-L149 PolarHBondContact O-N 3.25Å; V146-L149 PolarHBondContact O-N 2.67Å; V147-L149 VanDerWaalsContact C-N 3.29Å; V147-L149 PolarHBondContact O-N 3.18Å; L149-N151 VanDerWaalsContact C-N 3.28Å
150C65.4Low59.9Low7 Ų770.6 Ų70.65%0.04738%0.382CS..Hα-helixtrans-79.9-8.3175.8-66.90000113.5V146 M152 M178 V181V146-C150 VanDerWaalsContact O-CB 3.25Å; V146-C150 WeakPolarHBondContact O-CB 3.32Å; V146-C150 PolarHBondContact O-N 3.23Å; V146-C150 PolarHBondContact O-SG 2.65Å; V146-C150 VanDerWaalsContact O-SG 3.33Å; C150-M152 VanDerWaalsContact C-N 3.29Å; C150-M152 WeakPolarHBondContact O-CG 3.39Å; C150-M152 PolarHBondContact O-N 3.42Å; C150-M178 HydrophobicContact CB-CE 4.36Å; C150-V181 HydrophobicContact CB-CG1 4.12Å
151N57.3Low59Low145 Ų14572.1 Ų72.178%0.77539%0.394SS*.THydrogen-bonded Turntrans5043.2173.5-144.518.2000114.1V147 L149V147-N151 PolarHBondContact O-N 2.96Å; V147-N151 VanDerWaalsContact O-N 3.17Å; L149-N151 VanDerWaalsContact C-N 3.28Å
152M60.4Low58.4Low79 Ų7970.9 Ų70.939%0.38939%0.39SS..  trans-114.5142.2-178.8-74-88.484.700111.2C150 I154 M178C150-M152 VanDerWaalsContact C-N 3.29Å; C150-M152 WeakPolarHBondContact O-CG 3.39Å; C150-M152 PolarHBondContact O-N 3.42Å; M152-I154 PolarHBondContact O-N 2.92Å; M152-I154 VanDerWaalsContact O-N 3.08Å; M152-M178 HydrophobicContact CG-CG 4.33Å
153N57.3Low58.2Low113 Ų11369.7 Ų69.760%0.60438%0.378SS*.  trans-75.896.9177.7-166-6.5000109.5K155 S156N153-K155 PolarHBondContact O-N 3.3Å; N153-K155 WeakPolarHBondContact OD1-CB 3.38Å; N153-S156 PolarHBondContact O-N 2.8Å; N153-S156 PolarHBondContact O-OG 2.93Å; N153-S156 VanDerWaalsContact O-OG 3.06Å
154I57.2Low58.3Low20 Ų2070.9 Ų70.910%0.10336%0.363CS..THydrogen-bonded Turntrans-56.5-18.4-178.1-27.9171.8000112.5L140 V147 M152 S156 L157 L158L140-I154 HydrophobicContact CB-CG2 4.42Å; V147-I154 HydrophobicContact CB-CD1 4Å; V147-I154 HydrophobicContact CB-CG1 4.13Å; V147-I154 HydrophobicContact CG1-CD1 3.48Å; V147-I154 VanDerWaalsContact CG1-CD1 3.48Å; V147-I154 HydrophobicContact CG1-CG1 3.26Å; V147-I154 HydrophobicContact CG2-CD1 3.48Å; V147-I154 VanDerWaalsContact CG2-CD1 3.48Å; V147-I154 HydrophobicContact CG2-CG1 3.77Å; M152-I154 PolarHBondContact O-N 2.92Å; M152-I154 VanDerWaalsContact O-N 3.08Å; I154-S156 PolarHBondContact O-N 3.4Å; I154-S156 VanDerWaalsContact O-N 3.14Å; I154-L157 HydrophobicContact CG2-CB 4.46Å; I154-L157 PolarHBondContact O-N 3.38Å; I154-L157 VanDerWaalsContact O-N 3.08Å; I154-L158 HydrophobicContact CB-CD1 3.87Å; I154-L158 HydrophobicContact CB-CG 4.32Å; I154-L158 HydrophobicContact CG2-CD1 3.52Å; I154-L158 HydrophobicContact CG2-CD2 4.42Å; I154-L158 HydrophobicContact CG2-CG 3.58Å; I154-L158 WeakPolarHBondContact O-CB 3.33Å; I154-L158 WeakPolarHBondContact O-CG 3.46Å; I154-L158 PolarHBondContact O-N 3.31Å
155K56.5Low57.7Low148 Ų14874.3 Ų74.364%0.64339%0.385SS*.Hα-helixtrans-55.8-30.1177.9-71.4-177.6176.4178.80112.4N153 S159N153-K155 PolarHBondContact O-N 3.3Å; N153-K155 WeakPolarHBondContact OD1-CB 3.38Å; K155-S159 WeakPolarHBondContact O-CB 3.13Å; K155-S159 PolarHBondContact O-N 3.38Å; K155-S159 PolarHBondContact O-OG 3.13Å
156S57.1Low57.2Low57 Ų5773.9 Ų73.940%0.39939%0.394SS..Hα-helixtrans-74.6-39.3175.358.50000113N153 I154 S159 I160N153-S156 PolarHBondContact O-N 2.8Å; N153-S156 PolarHBondContact O-OG 2.93Å; N153-S156 VanDerWaalsContact O-OG 3.06Å; I154-S156 PolarHBondContact O-N 3.4Å; I154-S156 VanDerWaalsContact O-N 3.14Å; S156-S159 PolarHBondContact O-OG 2.67Å; S156-I160 VanDerWaalsContact O-CD1 3.27Å; S156-I160 WeakPolarHBondContact O-CD1 3.26Å; S156-I160 VanDerWaalsContact O-CG1 3.23Å; S156-I160 WeakPolarHBondContact O-CG1 3.47Å; S156-I160 PolarHBondContact O-N 3.02Å
157L57.2Low56.7Low27 Ų2777.4 Ų77.414%0.14141%0.411CS..Hα-helixtrans-74.2-35.4177.2-101.5165.5000113.2I154 R171 I174 M178I154-L157 HydrophobicContact CG2-CB 4.46Å; I154-L157 PolarHBondContact O-N 3.38Å; I154-L157 VanDerWaalsContact O-N 3.08Å; L157-R171 HydrophobicContact CD2-CG 4.14Å; L157-I174 HydrophobicContact CD1-CB 4.41Å; L157-I174 HydrophobicContact CD1-CG2 3.42Å; L157-I174 VanDerWaalsContact CD1-CG2 3.42Å; L157-I174 HydrophobicContact CD2-CG2 4.41Å; L157-I174 HydrophobicContact CG-CB 4.36Å; L157-I174 HydrophobicContact CG-CG2 3.71Å; L157-M178 HydrophobicContact CD1-SD 3.42Å; L157-M178 WeakPolarHBondContact CD1-SD 3.43Å
158L57Low56.1Low55 Ų5578 Ų7829%0.28842%0.415SS..Hα-helixtrans-79.7-20.4179.3-69.2169.6000113.2R136 I154R136-L158 HydrophobicContact CG-CD2 3.96Å; R136-L158 PolarHBondContact NH2-O 3.19Å; I154-L158 HydrophobicContact CB-CD1 3.87Å; I154-L158 HydrophobicContact CB-CG 4.32Å; I154-L158 HydrophobicContact CG2-CD1 3.52Å; I154-L158 HydrophobicContact CG2-CD2 4.42Å; I154-L158 HydrophobicContact CG2-CG 3.58Å; I154-L158 WeakPolarHBondContact O-CB 3.33Å; I154-L158 WeakPolarHBondContact O-CG 3.46Å; I154-L158 PolarHBondContact O-N 3.31Å
159S52.7Low56Low93 Ų9377 Ų7765%0.6541%0.409SS*.Hα-helixtrans-91.4-12.8178.3600000114.4K155 S156 S161K155-S159 WeakPolarHBondContact O-CB 3.13Å; K155-S159 PolarHBondContact O-N 3.38Å; K155-S159 PolarHBondContact O-OG 3.13Å; S156-S159 PolarHBondContact O-OG 2.67Å; S159-S161 PolarHBondContact O-N 3.09Å
160I54.8Low56.1Low26 Ų2677.2 Ų77.213%0.13341%0.413CS..SBendtrans-72.7122.4170.7-67.4160.2000107.7S156 Q167 R171 I174S156-I160 VanDerWaalsContact O-CD1 3.27Å; S156-I160 WeakPolarHBondContact O-CD1 3.26Å; S156-I160 VanDerWaalsContact O-CG1 3.23Å; S156-I160 WeakPolarHBondContact O-CG1 3.47Å; S156-I160 PolarHBondContact O-N 3.02Å; I160-Q167 HydrophobicContact CG2-CB 4.18Å; I160-R171 HydrophobicContact CD1-CB 4.47Å; I160-I174 HydrophobicContact CD1-CD1 4.35Å
161S52.1Low56.4Low45 Ų4578.1 Ų78.132%0.31542%0.416SS..  trans-61.6145.3175.856.40000109.8S159 W163 H164S159-S161 PolarHBondContact O-N 3.09Å; S161-W163 PolarHBondContact O-N 3.48Å; S161-H164 PolarHBondContact OG-CD2 3.03Å; S161-H164 VanDerWaalsContact OG-CG 3.24Å; S161-H164 PolarHBondContact OG-NE2 2.85Å
162I54.5Low57.1Low79 Ų7975.4 Ų75.441%0.40540%0.395SS..SBendtrans-57.5-19-171.4-63.3169.3000111.9L129L129-I162 HydrophobicContact CD2-CG2 3.59Å
163W52.8Low57.6Low150 Ų15077.6 Ų77.657%0.56840%0.404SS*.  trans-147.999.7174.8-140.778.2000113.7S161 P165S161-W163 PolarHBondContact O-N 3.48Å; W163-P165 HydrophobicContact CE3-CG 4.39Å; W163-P165 HydrophobicContact CH2-CG 4.24Å; W163-P165 HydrophobicContact CZ3-CG 3.87Å
164H53.6Low58.4Low103 Ų10374.2 Ų74.248%0.47739%0.385SS..  trans-133.6119.2160.6-81.3-18.2000110.4S161 N166 Q167 S168S161-H164 PolarHBondContact OG-CD2 3.03Å; S161-H164 VanDerWaalsContact OG-CG 3.24Å; S161-H164 PolarHBondContact OG-NE2 2.85Å; H164-N166 PolarHBondContact O-N 3.1Å; H164-N166 VanDerWaalsContact O-N 3.08Å; H164-Q167 HydrophobicContact CB-CB 4.21Å; H164-Q167 HydrophobicContact CB-CG 4.3Å; H164-Q167 PolarHBondContact O-N 3.15Å; H164-S168 PolarHBondContact O-N 3.19Å
165P51.8Low59.3Low81 Ų8173.6 Ų73.653%0.52638%0.382SS..G310 helixtrans-55.5-31.3-177.4-25.932.6000113.9W163 S168W163-P165 HydrophobicContact CE3-CG 4.39Å; W163-P165 HydrophobicContact CH2-CG 4.24Å; W163-P165 HydrophobicContact CZ3-CG 3.87Å; P165-S168 PolarHBondContact O-OG 3.41Å
166N50.1Low60.3Low149 Ų14968 Ų6880%0.79736%0.362SS*.G310 helixtrans-86-5.1-176.7-60.1-7.3000113.8H164H164-N166 PolarHBondContact O-N 3.1Å; H164-N166 VanDerWaalsContact O-N 3.08Å
167Q53.4Low61.2Low75 Ų7569.9 Ų69.935%0.3536%0.364SS..G310 helixtrans-119.16.1179.1-63.4177.8-10.900112I160 H164 T170 R171I160-Q167 HydrophobicContact CG2-CB 4.18Å; H164-Q167 HydrophobicContact CB-CB 4.21Å; H164-Q167 HydrophobicContact CB-CG 4.3Å; H164-Q167 PolarHBondContact O-N 3.15Å; Q167-T170 PolarHBondContact O-OG1 2.96Å; Q167-R171 WeakPolarHBondContact O-CB 2.97Å; Q167-R171 PolarHBondContact O-N 3.36Å
168S53.9Low61.9Low30 Ų3068.9 Ų68.921%0.2136%0.359CS..Hα-helixtrans-63.6-45.6177.255.90000111.4H164 P165 R171 R172H164-S168 PolarHBondContact O-N 3.19Å; P165-S168 PolarHBondContact O-OG 3.41Å; S168-R171 PolarHBondContact O-N 3.36Å; S168-R172 WeakPolarHBondContact O-CB 3.44Å; S168-R172 PolarHBondContact O-N 3.07Å
169T58.9Low62.9Low81 Ų8166.9 Ų66.950%0.49735%0.348SS..Hα-helixtrans-60.6-49.2179.151.20000111.7R171 R172 E173T169-R171 PolarHBondContact O-N 2.84Å; T169-R172 PolarHBondContact O-N 3.45Å; T169-E173 WeakPolarHBondContact O-CB 3.32Å; T169-E173 WeakPolarHBondContact O-CG 3.34Å; T169-E173 PolarHBondContact O-N 3.45Å
170T63.5Low63.9Low59 Ų5968.9 Ų68.936%0.36235%0.345SS..Hα-helixtrans-64.9-37.8-179.647.10000112.4Q167 I174Q167-T170 PolarHBondContact O-OG1 2.96Å; T170-I174 VanDerWaalsContact O-CD1 3.3Å; T170-I174 WeakPolarHBondContact O-CD1 3.35Å; T170-I174 WeakPolarHBondContact O-CG1 3.31Å; T170-I174 PolarHBondContact O-N 2.75Å
171R71.6Confident64.6Low25 Ų2569.2 Ų69.29%0.09435%0.348CS..Hα-helixtrans-66.8-42.6175.4-177.8174.254.889.215.4112.5E119 Y128 L157 I160 Q167 S168 T169 I174 L175E119-R171 IonicContact OE1-NH2 2.75Å; E119-R171 PolarHBondContact OE1-NH2 3.39Å; E119-R171 IonicContact OE2-NH2 3.87Å; E119-R171 PolarHBondContact OE2-NH2 3.38Å; Y128-R171 PolarHBondContact OH-NH1 2.63Å; Y128-R171 PolarHBondContact OH-NH2 2.97Å; L157-R171 HydrophobicContact CD2-CG 4.14Å; I160-R171 HydrophobicContact CD1-CB 4.47Å; Q167-R171 WeakPolarHBondContact O-CB 2.97Å; Q167-R171 PolarHBondContact O-N 3.36Å; S168-R171 PolarHBondContact O-N 3.36Å; T169-R171 PolarHBondContact O-N 2.84Å; R171-I174 PolarHBondContact O-N 3.29Å; R171-L175 WeakPolarHBondContact O-CB 2.89Å; R171-L175 PolarHBondContact O-N 3.19Å
172R71.9Confident65.3Low89 Ų8967 Ų6734%0.33633%0.333SS..Hα-helixtrans-65.1-40.6176-125.1176.7-174.7-129.5-1.4111.6L115 I117 E119 S168 T169 L175 S176L115-R172 HydrophobicContact CD2-CB 4.46Å; L115-R172 HydrophobicContact CD2-CG 3.57Å; L115-R172 PolarHBondContact O-NH2 3.04Å; I117-R172 PolarHBondContact O-NH2 2.6Å; E119-R172 VanDerWaalsContact OE1-CD 3.31Å; E119-R172 WeakPolarHBondContact OE1-CD 3.34Å; E119-R172 IonicContact OE1-NE 3.47Å; E119-R172 PolarHBondContact OE1-NE 3.06Å; E119-R172 VanDerWaalsContact OE1-NE 3.11Å; S168-R172 WeakPolarHBondContact O-CB 3.44Å; S168-R172 PolarHBondContact O-N 3.07Å; T169-R172 PolarHBondContact O-N 3.45Å; R172-L175 PolarHBondContact O-N 3.02Å; R172-S176 VanDerWaalsContact O-CB 3.26Å; R172-S176 WeakPolarHBondContact O-CB 3.46Å; R172-S176 PolarHBondContact O-N 3.48Å
173E72.4Confident65.7Low124 Ų12466.2 Ų66.258%0.57933%0.329SS*.Hα-helixtrans-63.6-45.2175.5-75.8165.8-16800111.8T169 S176 H177T169-E173 WeakPolarHBondContact O-CB 3.32Å; T169-E173 WeakPolarHBondContact O-CG 3.34Å; T169-E173 PolarHBondContact O-N 3.45Å; E173-S176 PolarHBondContact O-N 3.43Å; E173-H177 WeakPolarHBondContact O-CB 3.46Å; E173-H177 PolarHBondContact O-N 2.94Å
174I72.6Confident66.3Low42 Ų4264.9 Ų64.922%0.21533%0.328CS..Hα-helixtrans-65.3-43.3177.3-62.6159.6000110.5L157 I160 T170 R171 H177 M178L157-I174 HydrophobicContact CD1-CB 4.41Å; L157-I174 HydrophobicContact CD1-CG2 3.42Å; L157-I174 VanDerWaalsContact CD1-CG2 3.42Å; L157-I174 HydrophobicContact CD2-CG2 4.41Å; L157-I174 HydrophobicContact CG-CB 4.36Å; L157-I174 HydrophobicContact CG-CG2 3.71Å; I160-I174 HydrophobicContact CD1-CD1 4.35Å; T170-I174 VanDerWaalsContact O-CD1 3.3Å; T170-I174 WeakPolarHBondContact O-CD1 3.35Å; T170-I174 WeakPolarHBondContact O-CG1 3.31Å; T170-I174 PolarHBondContact O-N 2.75Å; R171-I174 PolarHBondContact O-N 3.29Å; I174-H177 PolarHBondContact O-N 3.24Å; I174-M178 HydrophobicContact CG2-CG 4.48Å; I174-M178 HydrophobicContact CG2-SD 4.38Å; I174-M178 WeakPolarHBondContact O-CG 3.28Å; I174-M178 PolarHBondContact O-N 3.5Å
175L76.4Confident66.6Low7 Ų763.8 Ų63.84%0.03732%0.321CS..Hα-helixtrans-63.6-43.4177.4-174.761.8000111.8F107 A111 I114 L115 L135 R171 R172 H177 M178 Q179F107-L175 HydrophobicContact CE2-CD1 4.32Å; F107-L175 HydrophobicContact CZ-CD1 4.23Å; A111-L175 HydrophobicContact CB-CD1 3.93Å; A111-L175 HydrophobicContact CB-CD2 4.48Å; A111-L175 HydrophobicContact CB-CG 4.15Å; I114-L175 HydrophobicContact CB-CD2 4.1Å; I114-L175 HydrophobicContact CG2-CD2 3.72Å; L115-L175 HydrophobicContact CD2-CD2 4.21Å; L115-L175 HydrophobicContact CD2-CG 4.5Å; L115-L175 HydrophobicContact CG-CD2 4.28Å; L135-L175 HydrophobicContact CD2-CD1 3.56Å; L135-L175 HydrophobicContact CD2-CD2 4.25Å; R171-L175 WeakPolarHBondContact O-CB 2.89Å; R171-L175 PolarHBondContact O-N 3.19Å; R172-L175 PolarHBondContact O-N 3.02Å; L175-H177 VanDerWaalsContact C-N 3.31Å; L175-H177 PolarHBondContact O-N 3.42Å; L175-M178 PolarHBondContact O-N 3.45Å; L175-Q179 WeakPolarHBondContact O-CB 3.26Å; L175-Q179 PolarHBondContact O-N 3.21Å
176S77.3Confident66.8Low32 Ų3260.1 Ų60.122%0.22430%0.297CS..Hα-helixtrans-62.8-37.7174.4-177.60000112R172 E173 Q179 K180R172-S176 VanDerWaalsContact O-CB 3.26Å; R172-S176 WeakPolarHBondContact O-CB 3.46Å; R172-S176 PolarHBondContact O-N 3.48Å; E173-S176 PolarHBondContact O-N 3.43Å; S176-Q179 PolarHBondContact O-N 2.92Å; S176-K180 WeakPolarHBondContact O-CG 2.91Å; S176-K180 PolarHBondContact O-N 2.89Å
177H76.2Confident66.9Low96 Ų9657.8 Ų57.844%0.44428%0.282SS..Hα-helixtrans-66-46.5175.1-173.570.1000111.6E173 I174 L175 Q179 K180 V181E173-H177 WeakPolarHBondContact O-CB 3.46Å; E173-H177 PolarHBondContact O-N 2.94Å; I174-H177 PolarHBondContact O-N 3.24Å; L175-H177 VanDerWaalsContact C-N 3.31Å; L175-H177 PolarHBondContact O-N 3.42Å; H177-Q179 VanDerWaalsContact C-N 3.31Å; H177-Q179 PolarHBondContact O-N 2.96Å; H177-K180 PolarHBondContact O-N 3.43Å; H177-V181 WeakPolarHBondContact O-CG2 3.25Å; H177-V181 PolarHBondContact O-N 2.89Å
178M73.3Confident66.8Low5 Ų557.2 Ų57.23%0.02529%0.286CS..Hα-helixtrans-61.3-40.1176.2-70.9-175.867.500111.9F107 L140 V146 C150 M152 L157 I174 L175 K180 V181 A182F107-M178 HydrophobicContact CE1-CB 4.11Å; F107-M178 HydrophobicContact CE2-CE 4.48Å; F107-M178 HydrophobicContact CZ-CB 3.75Å; F107-M178 HydrophobicContact CZ-CE 4.06Å; L140-M178 HydrophobicContact CD2-CE 3.45Å; L140-M178 VanDerWaalsContact CD2-CE 3.45Å; L140-M178 HydrophobicContact CD2-SD 4.12Å; V146-M178 HydrophobicContact CG1-CE 4.4Å; C150-M178 HydrophobicContact CB-CE 4.36Å; M152-M178 HydrophobicContact CG-CG 4.33Å; L157-M178 HydrophobicContact CD1-SD 3.42Å; L157-M178 WeakPolarHBondContact CD1-SD 3.43Å; I174-M178 HydrophobicContact CG2-CG 4.48Å; I174-M178 HydrophobicContact CG2-SD 4.38Å; I174-M178 WeakPolarHBondContact O-CG 3.28Å; I174-M178 PolarHBondContact O-N 3.5Å; L175-M178 PolarHBondContact O-N 3.45Å; M178-K180 PolarHBondContact O-N 2.65Å; M178-V181 PolarHBondContact O-N 3.41Å; M178-A182 WeakPolarHBondContact O-CB 3.08Å; M178-A182 PolarHBondContact O-N 3.11Å
179Q76.8Confident66.6Low13 Ų1362.8 Ų62.86%0.06130%0.303CS..Hα-helixtrans-60.3-43.5174.4-175.6-169.14200112W108 A111 E112 L115 L175 S176 H177 A182 L183W108-Q179 HydrophobicContact CD2-CG 4.48Å; W108-Q179 HydrophobicContact CG-CG 4.01Å; A111-Q179 HydrophobicContact CB-CB 4.37Å; A111-Q179 HydrophobicContact CB-CG 4.41Å; E112-Q179 PolarHBondContact OE2-NE2 3.01Å; L115-Q179 VanDerWaalsContact CD1-OE1 3.27Å; L175-Q179 WeakPolarHBondContact O-CB 3.26Å; L175-Q179 PolarHBondContact O-N 3.21Å; S176-Q179 PolarHBondContact O-N 2.92Å; H177-Q179 VanDerWaalsContact C-N 3.31Å; H177-Q179 PolarHBondContact O-N 2.96Å; Q179-A182 PolarHBondContact O-N 2.9Å; Q179-L183 WeakPolarHBondContact O-CB 3.13Å; Q179-L183 PolarHBondContact O-N 3.5Å
180K73.4Confident66.4Low136 Ų13664.2 Ų64.259%0.59130%0.3SS*.Hα-helixtrans-66.4-41.4176.7-73.7173.2-177.8176.70112.6S176 H177 M178 L183 F184S176-K180 WeakPolarHBondContact O-CG 2.91Å; S176-K180 PolarHBondContact O-N 2.89Å; H177-K180 PolarHBondContact O-N 3.43Å; M178-K180 PolarHBondContact O-N 2.65Å; K180-L183 PolarHBondContact O-N 3.32Å; K180-F184 PolarHBondContact O-N 2.91Å
181V70.2Confident65.8Low32 Ų3261.5 Ų61.519%0.19428%0.283CS..Hα-helixtrans-68.3-39177.1176.50000110.8C150 H177 M178 F184 K185C150-V181 HydrophobicContact CB-CG1 4.12Å; H177-V181 WeakPolarHBondContact O-CG2 3.25Å; H177-V181 PolarHBondContact O-N 2.89Å; M178-V181 PolarHBondContact O-N 3.41Å; V181-F184 PolarHBondContact O-N 2.84Å; V181-K185 HydrophobicContact CG1-CG 4.35Å; V181-K185 WeakPolarHBondContact O-CB 3.23Å; V181-K185 WeakPolarHBondContact O-CG 3.47Å; V181-K185 PolarHBondContact O-N 3.48Å
182A67.4Low64.6Low0 Ų063.2 Ų63.20%030%0.297CS..Hα-helixtrans-58.3-50.6173.800000110.7L104 F107 M178 Q179 F184 K185 L186L104-A182 HydrophobicContact CD2-CB 3.37Å; F107-A182 HydrophobicContact CD1-CB 3.93Å; F107-A182 HydrophobicContact CE1-CB 4.01Å; M178-A182 WeakPolarHBondContact O-CB 3.08Å; M178-A182 PolarHBondContact O-N 3.11Å; Q179-A182 PolarHBondContact O-N 2.9Å; A182-F184 VanDerWaalsContact C-N 3.34Å; A182-F184 PolarHBondContact O-N 2.8Å; A182-K185 PolarHBondContact O-N 2.87Å; A182-L186 VanDerWaalsContact O-CG 3.24Å; A182-L186 WeakPolarHBondContact O-CG 3.33Å; A182-L186 PolarHBondContact O-N 3.38Å
183L63.2Low63.3Low61 Ų6163.2 Ų63.232%0.31930%0.304SS..Hα-helixtrans-56.6-44.1175.6-175.365.8000112.6Q179 K180 K185 L186 Q187Q179-L183 WeakPolarHBondContact O-CB 3.13Å; Q179-L183 PolarHBondContact O-N 3.5Å; K180-L183 PolarHBondContact O-N 3.32Å; L183-K185 PolarHBondContact O-N 3.23Å; L183-L186 WeakPolarHBondContact O-CB 3.48Å; L183-L186 PolarHBondContact O-N 3.07Å; L183-Q187 WeakPolarHBondContact O-CG 3.49Å; L183-Q187 PolarHBondContact O-N 3.35Å; L183-Q187 VanDerWaalsContact O-N 3.1Å
184F64.4Low62Low123 Ų12362.8 Ų62.854%0.53930%0.3SS..Hα-helixtrans-64.4-40.5177.8178.1-98000112.9K180 V181 A182 Q187 S188K180-F184 PolarHBondContact O-N 2.91Å; V181-F184 PolarHBondContact O-N 2.84Å; A182-F184 VanDerWaalsContact C-N 3.34Å; A182-F184 PolarHBondContact O-N 2.8Å; F184-Q187 PolarHBondContact O-N 2.74Å; F184-S188 WeakPolarHBondContact O-CB 3.28Å; F184-S188 PolarHBondContact O-N 2.84Å; F184-S188 PolarHBondContact O-OG 2.74Å
185K60.6Low60.9Low79 Ų7964.1 Ų64.134%0.34330%0.303SS..Hα-helixtrans-72.1-31.9179.9-72.1-68.4-173.8-1800112.8L104 V181 A182 L183L104-K185 HydrophobicContact CD1-CB 4.42Å; V181-K185 HydrophobicContact CG1-CG 4.35Å; V181-K185 WeakPolarHBondContact O-CB 3.23Å; V181-K185 WeakPolarHBondContact O-CG 3.47Å; V181-K185 PolarHBondContact O-N 3.48Å; A182-K185 PolarHBondContact O-N 2.87Å; L183-K185 PolarHBondContact O-N 3.23Å
186L55.7Low59.5Low4 Ų467 Ų672%0.02132%0.321CS..Hα-helixtrans-56.7-59.9167.1-72179000109.7G101 L104 V105 A182 L183 S188 L191G101-L186 WeakPolarHBondContact O-CD2 3Å; L104-L186 HydrophobicContact CB-CD1 3.92Å; L104-L186 HydrophobicContact CB-CD2 3.44Å; L104-L186 VanDerWaalsContact CB-CD2 3.44Å; L104-L186 HydrophobicContact CB-CG 3.71Å; L104-L186 HydrophobicContact CD1-CD2 3.69Å; L104-L186 HydrophobicContact CD1-CG 4.02Å; L104-L186 HydrophobicContact CG-CD2 4.21Å; L104-L186 HydrophobicContact CG-CG 4.45Å; V105-L186 HydrophobicContact CG2-CD1 3.87Å; V105-L186 HydrophobicContact CG2-CD2 4.48Å; A182-L186 VanDerWaalsContact O-CG 3.24Å; A182-L186 WeakPolarHBondContact O-CG 3.33Å; A182-L186 PolarHBondContact O-N 3.38Å; L183-L186 WeakPolarHBondContact O-CB 3.48Å; L183-L186 PolarHBondContact O-N 3.07Å; L186-S188 PolarHBondContact O-N 3.32Å; L186-L191 WeakPolarHBondContact O-CB 3.42Å; L186-L191 WeakPolarHBondContact O-CD2 3.27Å
187Q52.8Low58Low101 Ų10171.5 Ų71.547%0.47234%0.338SS..Hα-helixtrans-61-37-173.7-70.8169.3-15.100114.5L183 F184L183-Q187 WeakPolarHBondContact O-CG 3.49Å; L183-Q187 PolarHBondContact O-N 3.35Å; L183-Q187 VanDerWaalsContact O-N 3.1Å; F184-Q187 PolarHBondContact O-N 2.74Å
188S50.1Low56.6Low63 Ų6369.2 Ų69.244%0.44133%0.331SS..Hα-helixtrans-95.9-21.6-165.755.30000115.9F184 L186F184-S188 WeakPolarHBondContact O-CB 3.28Å; F184-S188 PolarHBondContact O-N 2.84Å; F184-S188 PolarHBondContact O-OG 2.74Å; L186-S188 PolarHBondContact O-N 3.32Å
189Y49.8Very low55.6Low147 Ų14773.4 Ų73.458%0.57635%0.349SS*.Hα-helixtrans-134.2-44.8-166.3179.8-97.6000115.3L191 N193Y189-L191 PolarHBondContact O-N 2.92Å; Y189-N193 PolarHBondContact O-ND2 3.46Å
190W54.7Low54.3Low110 Ų11077.7 Ų77.742%0.41737%0.371SS..Hα-helixtrans-71.8-0.8-164.9-97.993.5000115F194W190-F194 WeakPolarHBondContact O-CB 3.31Å; W190-F194 PolarHBondContact O-N 3.49Å
191L50.1Low53.2Low3 Ų374 Ų742%0.01636%0.359CS..Hα-helix-138.3-52.8-124.9-163.173.5000114.6P98 E99 G100 L186 Y189 N193 F194 Y195P98-L191 WeakPolarHBondContact O-CD2 3.36Å; P98-L191 WeakPolarHBondContact O-CG 2.99Å; E99-L191 VanDerWaalsContact CA-CD1 3.46Å; E99-L191 HydrophobicContact CB-CD1 3.59Å; E99-L191 HydrophobicContact CB-CD2 4.32Å; E99-L191 HydrophobicContact CB-CG 3.56Å; E99-L191 VanDerWaalsContact N-CD2 3.3Å; E99-L191 WeakPolarHBondContact O-CD1 3.36Å; E99-L191 WeakPolarHBondContact O-CD2 3.44Å; E99-L191 WeakPolarHBondContact O-CG 3.35Å; G100-L191 WeakPolarHBondContact O-CD1 3.47Å; L186-L191 WeakPolarHBondContact O-CB 3.42Å; L186-L191 WeakPolarHBondContact O-CD2 3.27Å; Y189-L191 PolarHBondContact O-N 2.92Å; L191-N193 PolarHBondContact O-N 3.37Å; L191-F194 PolarHBondContact O-N 3.11Å; L191-Y195 WeakPolarHBondContact O-CB 3.46Å; L191-Y195 PolarHBondContact O-N 3.15Å; L191-Y195 VanDerWaalsContact O-N 3.08Å
192P47.3Very low52.4Low60 Ų6075.1 Ų75.139%0.3936%0.363SS..Hα-helixtrans-46.4-36.2143.4-28.234.7000112.9T196P192-T196 VanDerWaalsContact O-CB 3.23Å; P192-T196 WeakPolarHBondContact O-CB 3.24Å; P192-T196 PolarHBondContact O-N 2.84Å; P192-T196 PolarHBondContact O-OG1 3.04Å
193N43.6Very low52Low90 Ų9077.5 Ų77.548%0.48138%0.383SS..Hα-helixtrans-75.8-43.6-176-74.7-34.2000113.3Y189 L191 H197Y189-N193 PolarHBondContact O-ND2 3.46Å; L191-N193 PolarHBondContact O-N 3.37Å; N193-H197 VanDerWaalsContact O-CB 3.28Å; N193-H197 WeakPolarHBondContact O-CB 3.15Å; N193-H197 PolarHBondContact O-N 3.26Å
194F46.9Very low51.8Low114 Ų11482.6 Ų82.650%0.540%0.403SS..Hα-helixtrans-63.9-46.2174.8-179.3-101.3000110.9W190 L191 T196 H197 T198W190-F194 WeakPolarHBondContact O-CB 3.31Å; W190-F194 PolarHBondContact O-N 3.49Å; L191-F194 PolarHBondContact O-N 3.11Å; F194-T196 PolarHBondContact O-N 3.18Å; F194-H197 PolarHBondContact O-N 2.8Å; F194-T198 WeakPolarHBondContact O-CB 3.23Å; F194-T198 PolarHBondContact O-N 2.73Å; F194-T198 PolarHBondContact O-OG1 2.9Å
195Y48.4Very low51.9Low71 Ų7182.2 Ų82.228%0.27840%0.402SS..Hα-helixtrans-56.4-49.1175.8-174.7-109000112.4E99 L191 H197 T198 K199 Y215E99-Y195 WeakPolarHBondContact OE1-CD2 3.15Å; E99-Y195 VanDerWaalsContact OE2-CB 3.32Å; E99-Y195 WeakPolarHBondContact OE2-CB 3.37Å; L191-Y195 WeakPolarHBondContact O-CB 3.46Å; L191-Y195 PolarHBondContact O-N 3.15Å; L191-Y195 VanDerWaalsContact O-N 3.08Å; Y195-H197 VanDerWaalsContact C-N 3.3Å; Y195-H197 PolarHBondContact O-N 3.3Å; Y195-T198 PolarHBondContact O-N 3.29Å; Y195-K199 HydrophobicContact CE1-CD 4.43Å; Y195-K199 WeakPolarHBondContact O-CB 3.5Å; Y195-K199 PolarHBondContact O-N 2.75Å; Y195-Y215 WeakPolarHBondContact CE2-OH 3.29Å; Y195-Y215 WeakPolarHBondContact OH-CE1 3.08Å; Y195-Y215 PolarHBondContact OH-OH 3.08Å
196T47.8Very low52.1Low67 Ų6786.8 Ų86.841%0.41143%0.425SS..Hα-helixtrans-64.6-37.8-179.5-57.60000111.2P192 F194 M200P192-T196 VanDerWaalsContact O-CB 3.23Å; P192-T196 WeakPolarHBondContact O-CB 3.24Å; P192-T196 PolarHBondContact O-N 2.84Å; P192-T196 PolarHBondContact O-OG1 3.04Å; F194-T196 PolarHBondContact O-N 3.18Å; T196-M200 HydrophobicContact CG2-CE 3.61Å; T196-M200 WeakPolarHBondContact O-CB 3.26Å; T196-M200 WeakPolarHBondContact O-CG 3.24Å; T196-M200 PolarHBondContact O-N 3.47Å
197H44.5Very low52.5Low126 Ų12691 Ų9158%0.58346%0.46SS*.Hα-helixtrans-66.4-52.7176-17070000111.1N193 F194 Y195 K199 M200 T201N193-H197 VanDerWaalsContact O-CB 3.28Å; N193-H197 WeakPolarHBondContact O-CB 3.15Å; N193-H197 PolarHBondContact O-N 3.26Å; F194-H197 PolarHBondContact O-N 2.8Å; Y195-H197 VanDerWaalsContact C-N 3.3Å; Y195-H197 PolarHBondContact O-N 3.3Å; H197-K199 VanDerWaalsContact C-N 3.34Å; H197-K199 PolarHBondContact O-N 3.07Å; H197-M200 CarbonylContact O-C 3.6Å; H197-M200 PolarHBondContact O-N 3.13Å; H197-M200 VanDerWaalsContact O-N 3.12Å; H197-T201 WeakPolarHBondContact O-CB 3.35Å; H197-T201 PolarHBondContact O-N 3.37Å; H197-T201 PolarHBondContact O-OG1 2.94Å
198T48.3Very low52.5Low48 Ų4887.7 Ų87.729%0.29445%0.448SS..Hα-helixtrans-62.4-41.1-178.9-49.60000111.5F194 Y195 T201 M202F194-T198 WeakPolarHBondContact O-CB 3.23Å; F194-T198 PolarHBondContact O-N 2.73Å; F194-T198 PolarHBondContact O-OG1 2.9Å; Y195-T198 PolarHBondContact O-N 3.29Å; T198-T201 PolarHBondContact O-N 3.38Å; T198-M202 HydrophobicContact CG2-CG 4.43Å; T198-M202 HydrophobicContact CG2-SD 4.17Å; T198-M202 WeakPolarHBondContact O-CB 3.32Å; T198-M202 VanDerWaalsContact O-CG 3.27Å; T198-M202 WeakPolarHBondContact O-CG 3.42Å; T198-M202 PolarHBondContact O-N 3.46Å
199K52.4Low53.3Low93 Ų9389.2 Ų89.240%0.40445%0.448SS..Hα-helixtrans-60.6-46.5172.4-173.8177.3-178.5177.50112Y195 H197 T201 A203 M212Y195-K199 HydrophobicContact CE1-CD 4.43Å; Y195-K199 WeakPolarHBondContact O-CB 3.5Å; Y195-K199 PolarHBondContact O-N 2.75Å; H197-K199 VanDerWaalsContact C-N 3.34Å; H197-K199 PolarHBondContact O-N 3.07Å; K199-T201 VanDerWaalsContact C-N 3.34Å; K199-T201 PolarHBondContact O-N 3.23Å; K199-A203 WeakPolarHBondContact O-CB 3.32Å; K199-A203 PolarHBondContact O-N 3.23Å; K199-M212 HydrophobicContact CG-CE 3.92Å
200M49.6Very low54.1Low104 Ų10484.4 Ų84.451%0.51244%0.443SS..Hα-helixtrans-64.9-37176.6-82.8-158.4-128.400112.5T196 H197 K204T196-M200 HydrophobicContact CG2-CE 3.61Å; T196-M200 WeakPolarHBondContact O-CB 3.26Å; T196-M200 WeakPolarHBondContact O-CG 3.24Å; T196-M200 PolarHBondContact O-N 3.47Å; H197-M200 CarbonylContact O-C 3.6Å; H197-M200 PolarHBondContact O-N 3.13Å; H197-M200 VanDerWaalsContact O-N 3.12Å; M200-K204 WeakPolarHBondContact O-CD 3.36Å; M200-K204 WeakPolarHBondContact O-CG 3.18Å; M200-K204 PolarHBondContact O-N 3.35Å; M200-K204 VanDerWaalsContact O-N 3.1Å
201T50.3Low54.1Low57 Ų5784 Ų8435%0.3545%0.449SS..Hα-helixtrans-73.4-41-179-47.30000110.8H197 T198 K199 K204 E205H197-T201 WeakPolarHBondContact O-CB 3.35Å; H197-T201 PolarHBondContact O-N 3.37Å; H197-T201 PolarHBondContact O-OG1 2.94Å; T198-T201 PolarHBondContact O-N 3.38Å; K199-T201 VanDerWaalsContact C-N 3.34Å; K199-T201 PolarHBondContact O-N 3.23Å; T201-K204 PolarHBondContact O-N 2.94Å; T201-E205 PolarHBondContact O-N 2.98Å
202M52.7Low54.8Low56 Ų5684.8 Ų84.828%0.27645%0.453SS..Hα-helixtrans-65.8-37172.7-71.6-178.172.200112.5T198 K204 E205 C208 L211 M212T198-M202 HydrophobicContact CG2-CG 4.43Å; T198-M202 HydrophobicContact CG2-SD 4.17Å; T198-M202 WeakPolarHBondContact O-CB 3.32Å; T198-M202 VanDerWaalsContact O-CG 3.27Å; T198-M202 WeakPolarHBondContact O-CG 3.42Å; T198-M202 PolarHBondContact O-N 3.46Å; M202-K204 VanDerWaalsContact C-N 3.26Å; M202-K204 PolarHBondContact O-N 3.29Å; M202-E205 PolarHBondContact O-N 2.99Å; M202-C208 HydrophobicContact CB-CB 4.2Å; M202-C208 HydrophobicContact CE-CB 4.41Å; M202-C208 WeakPolarHBondContact O-CB 3.4Å; M202-L211 HydrophobicContact CE-CB 4.27Å; M202-M212 HydrophobicContact CB-CG 4.02Å; M202-M212 HydrophobicContact CB-SD 3.86Å; M202-M212 HydrophobicContact CE-SD 4.3Å; M202-M212 HydrophobicContact SD-SD 4.46Å
203A58.9Low55.3Low51 Ų5188.4 Ų88.442%0.42146%0.464SS..Hα-helixtrans-69.9-21.6174.300000113.2K199 H209K199-A203 WeakPolarHBondContact O-CB 3.32Å; K199-A203 PolarHBondContact O-N 3.23Å; A203-H209 PolarHBondContact O-CE1 3.4Å
204K59.5Low55.8Low167 Ų16788.2 Ų88.273%0.72646%0.46SS*.Hα-helixtrans-82.2-18.4174.9-75.9168-174.7-179.40113.1M200 T201 M202M200-K204 WeakPolarHBondContact O-CD 3.36Å; M200-K204 WeakPolarHBondContact O-CG 3.18Å; M200-K204 PolarHBondContact O-N 3.35Å; M200-K204 VanDerWaalsContact O-N 3.1Å; T201-K204 PolarHBondContact O-N 2.94Å; M202-K204 VanDerWaalsContact C-N 3.26Å; M202-K204 PolarHBondContact O-N 3.29Å
205E66.4Low56.2Low115 Ų11587.5 Ų87.554%0.53746%0.455SS..  trans-100.9113-174.7-162.1107-148.200110.6T201 M202 A207 C208 H209T201-E205 PolarHBondContact O-N 2.98Å; M202-E205 PolarHBondContact O-N 2.99Å; E205-A207 PolarHBondContact O-N 3.06Å; E205-C208 HydrophobicContact CB-CB 4.19Å; E205-C208 PolarHBondContact O-N 2.89Å; E205-H209 PolarHBondContact O-ND1 2.88Å
206E65.3Low56.6Low176 Ų17688.1 Ų88.182%0.82246%0.461SS*.G310 helixtrans-56.3-35.4-176.7-76.7-174.5163.100113.2C208 H209E206-C208 PolarHBondContact O-N 3.22Å; E206-H209 VanDerWaalsContact CA-ND1 3.32Å; E206-H209 WeakPolarHBondContact CA-ND1 3.35Å; E206-H209 WeakPolarHBondContact O-CB 3.39Å; E206-H209 PolarHBondContact O-N 3.46Å; E206-H209 PolarHBondContact O-ND1 3.34Å
207A63.2Low57Low91 Ų9189 Ų8975%0.75247%0.466SS*.G310 helixtrans-64.9-24.2177.300000113.8E205E205-A207 PolarHBondContact O-N 3.06Å
208C53.3Low57.1Low32 Ų3290.5 Ų90.522%0.21647%0.467CS..G310 helixtrans-93.3-4.1-177.3-66.50000113M202 E205 E206 G210 L211 M212M202-C208 HydrophobicContact CB-CB 4.2Å; M202-C208 HydrophobicContact CE-CB 4.41Å; M202-C208 WeakPolarHBondContact O-CB 3.4Å; E205-C208 HydrophobicContact CB-CB 4.19Å; E205-C208 PolarHBondContact O-N 2.89Å; E206-C208 PolarHBondContact O-N 3.22Å; C208-G210 PolarHBondContact O-N 3.48Å; C208-L211 WeakPolarHBondContact O-CB 3.38Å; C208-L211 PolarHBondContact O-N 2.89Å; C208-L211 VanDerWaalsContact O-N 3.14Å; C208-M212 PolarHBondContact O-N 2.91Å
209H66.3Low57Low95 Ų9592.2 Ų92.244%0.4447%0.473SS..Hα-helixtrans-63.8-38.7-177.4-80.162.3000112.9A203 E205 E206 L211 M212 Q213A203-H209 PolarHBondContact O-CE1 3.4Å; E205-H209 PolarHBondContact O-ND1 2.88Å; E206-H209 VanDerWaalsContact CA-ND1 3.32Å; E206-H209 WeakPolarHBondContact CA-ND1 3.35Å; E206-H209 WeakPolarHBondContact O-CB 3.39Å; E206-H209 PolarHBondContact O-N 3.46Å; E206-H209 PolarHBondContact O-ND1 3.34Å; H209-L211 VanDerWaalsContact C-N 3.31Å; H209-L211 PolarHBondContact O-N 2.87Å; H209-M212 PolarHBondContact O-N 3.39Å; H209-Q213 WeakPolarHBondContact O-CB 3.49Å; H209-Q213 PolarHBondContact O-N 3.13Å
210G66.5Low56.5Low47 Ų4796.6 Ų96.649%0.48549%0.489SS..Hα-helixtrans-64.4-36.4174.400000112.8C208 Q213 E214C208-G210 PolarHBondContact O-N 3.48Å; G210-Q213 PolarHBondContact O-N 3.27Å; G210-E214 WeakPolarHBondContact O-CB 3.37Å; G210-E214 PolarHBondContact O-N 3.25Å
211L55.2Low56Low102 Ų10295.4 Ų95.453%0.53449%0.491SS..Hα-helixtrans-69.2-39174.8-109.1153.5000111.8M202 C208 H209 E214 Y215M202-L211 HydrophobicContact CE-CB 4.27Å; C208-L211 WeakPolarHBondContact O-CB 3.38Å; C208-L211 PolarHBondContact O-N 2.89Å; C208-L211 VanDerWaalsContact O-N 3.14Å; H209-L211 VanDerWaalsContact C-N 3.31Å; H209-L211 PolarHBondContact O-N 2.87Å; L211-E214 PolarHBondContact O-N 3.48Å; L211-Y215 VanDerWaalsContact O-CB 3.27Å; L211-Y215 WeakPolarHBondContact O-CB 3.21Å; L211-Y215 PolarHBondContact O-N 2.83Å
212M64.1Low55.5Low19 Ų1998.4 Ų98.49%0.09451%0.509CS..Hα-helixtrans-64.4-43.5173-79.5-61.3-56.900111.7K199 M202 C208 H209 E214 Y215 E216K199-M212 HydrophobicContact CG-CE 3.92Å; M202-M212 HydrophobicContact CB-CG 4.02Å; M202-M212 HydrophobicContact CB-SD 3.86Å; M202-M212 HydrophobicContact CE-SD 4.3Å; M202-M212 HydrophobicContact SD-SD 4.46Å; C208-M212 PolarHBondContact O-N 2.91Å; H209-M212 PolarHBondContact O-N 3.39Å; M212-E214 VanDerWaalsContact C-N 3.34Å; M212-E214 PolarHBondContact O-N 3.47Å; M212-Y215 PolarHBondContact O-N 2.91Å; M212-E216 WeakPolarHBondContact O-CB 3.5Å; M212-E216 WeakPolarHBondContact O-CG 3.15Å; M212-E216 PolarHBondContact O-N 3.34Å
213Q58.1Low54.4Low135 Ų135100.5 Ų100.563%0.63153%0.528SS*.Hα-helixtrans-65.7-37.8176.8-131.5174.710.500111.7H209 G210 T217H209-Q213 WeakPolarHBondContact O-CB 3.49Å; H209-Q213 PolarHBondContact O-N 3.13Å; G210-Q213 PolarHBondContact O-N 3.27Å; Q213-T217 WeakPolarHBondContact O-CB 3.4Å; Q213-T217 WeakPolarHBondContact O-CG2 3.41Å; Q213-T217 PolarHBondContact O-N 3.21Å; Q213-T217 PolarHBondContact O-OG1 3.36Å
214E55Low53Low86 Ų86107.1 Ų107.140%0.40254%0.543SS..Hα-helixtrans-67.9-41.4173.9-168.7176.2174.200111.9G210 L211 M212 T217 R218G210-E214 WeakPolarHBondContact O-CB 3.37Å; G210-E214 PolarHBondContact O-N 3.25Å; L211-E214 PolarHBondContact O-N 3.48Å; M212-E214 VanDerWaalsContact C-N 3.34Å; M212-E214 PolarHBondContact O-N 3.47Å; E214-T217 WeakPolarHBondContact CA-OG1 3.26Å; E214-T217 PolarHBondContact O-N 2.86Å; E214-T217 PolarHBondContact O-OG1 3.18Å; E214-R218 HydrophobicContact CG-CG 4.5Å; E214-R218 VanDerWaalsContact O-CB 3.26Å; E214-R218 WeakPolarHBondContact O-CB 3.27Å; E214-R218 WeakPolarHBondContact O-CG 3.46Å; E214-R218 PolarHBondContact O-N 2.89Å; E214-R218 IonicContact OE1-CZ 3.73Å; E214-R218 VanDerWaalsContact OE1-CZ 3.3Å; E214-R218 IonicContact OE1-NE 3.62Å; E214-R218 PolarHBondContact OE1-NE 3.12Å; E214-R218 IonicContact OE1-NH2 2.92Å; E214-R218 PolarHBondContact OE1-NH2 3.46Å
215Y55.5Low51.9Low99 Ų99105.4 Ų105.439%0.38855%0.547SS..Hα-helixtrans-63.6-44.9175-179.9-102000111.6Y195 L211 M212 R218 L219Y195-Y215 WeakPolarHBondContact CE2-OH 3.29Å; Y195-Y215 WeakPolarHBondContact OH-CE1 3.08Å; Y195-Y215 PolarHBondContact OH-OH 3.08Å; L211-Y215 VanDerWaalsContact O-CB 3.27Å; L211-Y215 WeakPolarHBondContact O-CB 3.21Å; L211-Y215 PolarHBondContact O-N 2.83Å; M212-Y215 PolarHBondContact O-N 2.91Å; Y215-R218 PolarHBondContact O-N 3.39Å; Y215-L219 HydrophobicContact CD1-CD1 3.89Å; Y215-L219 HydrophobicContact CE1-CD1 3.31Å; Y215-L219 HydrophobicContact CE2-CD1 4.23Å; Y215-L219 WeakPolarHBondContact O-CB 3.49Å; Y215-L219 PolarHBondContact O-N 3.46Å
216E55.3Low50.2Low84 Ų84108.3 Ų108.339%0.39356%0.56SS.*Hα-helixtrans-64.6-45.8175.7-73.6178.317100111.4M212 R218 L219 Y220M212-E216 WeakPolarHBondContact O-CB 3.5Å; M212-E216 WeakPolarHBondContact O-CG 3.15Å; M212-E216 PolarHBondContact O-N 3.34Å; E216-R218 VanDerWaalsContact C-N 3.33Å; E216-R218 PolarHBondContact O-N 2.93Å; E216-L219 WeakPolarHBondContact O-CB 3.37Å; E216-L219 PolarHBondContact O-N 2.93Å; E216-Y220 WeakPolarHBondContact O-CD2 3.31Å; E216-Y220 PolarHBondContact O-N 2.64Å
217T56.7Low48.6Very low86 Ų86106.5 Ų106.553%0.52856%0.561SS.*Hα-helixtrans-64.8-33.817644.90000113Q213 E214 Y220 S221Q213-T217 WeakPolarHBondContact O-CB 3.4Å; Q213-T217 WeakPolarHBondContact O-CG2 3.41Å; Q213-T217 PolarHBondContact O-N 3.21Å; Q213-T217 PolarHBondContact O-OG1 3.36Å; E214-T217 WeakPolarHBondContact CA-OG1 3.26Å; E214-T217 PolarHBondContact O-N 2.86Å; E214-T217 PolarHBondContact O-OG1 3.18Å; T217-Y220 PolarHBondContact O-N 2.65Å; T217-S221 WeakPolarHBondContact O-CB 3.36Å; T217-S221 PolarHBondContact O-N 3.26Å
218R46.9Very low47.4Very low157 Ų157105.9 Ų105.959%0.59256%0.563SS**Hα-helixtrans-70.3-38172.2-75.3178.9-175.5-142.16.8112.1E214 Y215 E216 Y220 S221 V222E214-R218 HydrophobicContact CG-CG 4.5Å; E214-R218 VanDerWaalsContact O-CB 3.26Å; E214-R218 WeakPolarHBondContact O-CB 3.27Å; E214-R218 WeakPolarHBondContact O-CG 3.46Å; E214-R218 PolarHBondContact O-N 2.89Å; E214-R218 IonicContact OE1-CZ 3.73Å; E214-R218 VanDerWaalsContact OE1-CZ 3.3Å; E214-R218 IonicContact OE1-NE 3.62Å; E214-R218 PolarHBondContact OE1-NE 3.12Å; E214-R218 IonicContact OE1-NH2 2.92Å; E214-R218 PolarHBondContact OE1-NH2 3.46Å; Y215-R218 PolarHBondContact O-N 3.39Å; E216-R218 VanDerWaalsContact C-N 3.33Å; E216-R218 PolarHBondContact O-N 2.93Å; R218-Y220 VanDerWaalsContact C-N 3.33Å; R218-Y220 PolarHBondContact O-N 3.37Å; R218-S221 CarbonylContact O-C 3.59Å; R218-S221 WeakPolarHBondContact O-CB 3.24Å; R218-S221 PolarHBondContact O-N 3.18Å; R218-S221 VanDerWaalsContact O-N 3.15Å; R218-V222 VanDerWaalsContact O-CG2 3.23Å; R218-V222 WeakPolarHBondContact O-CG2 3.25Å; R218-V222 PolarHBondContact O-N 3.04Å
219L46.8Very low46.4Very low84 Ų84107.5 Ų107.544%0.4459%0.586SS.*Hα-helixtrans-61-42.3171.8-116.6140000111.5Y215 E216 S221 V222 C223Y215-L219 HydrophobicContact CD1-CD1 3.89Å; Y215-L219 HydrophobicContact CE1-CD1 3.31Å; Y215-L219 HydrophobicContact CE2-CD1 4.23Å; Y215-L219 WeakPolarHBondContact O-CB 3.49Å; Y215-L219 PolarHBondContact O-N 3.46Å; E216-L219 WeakPolarHBondContact O-CB 3.37Å; E216-L219 PolarHBondContact O-N 2.93Å; L219-S221 VanDerWaalsContact C-N 3.34Å; L219-V222 PolarHBondContact O-N 2.99Å; L219-C223 PolarHBondContact O-N 2.85Å
220Y41.1Very low45Very low185 Ų185108.9 Ų108.973%0.72560%0.596SS**Hα-helixtrans-69.7-28.2173.8-77.6-70.3000113.1E216 T217 R218E216-Y220 WeakPolarHBondContact O-CD2 3.31Å; E216-Y220 PolarHBondContact O-N 2.64Å; T217-Y220 PolarHBondContact O-N 2.65Å; R218-Y220 VanDerWaalsContact C-N 3.33Å; R218-Y220 PolarHBondContact O-N 3.37Å
221S39.6Very low43.9Very low79 Ų79109.3 Ų109.355%0.55259%0.59SS**Hα-helixtrans-75.6-30.2173.3-177.20000113.4T217 R218 L219 C223 Y224T217-S221 WeakPolarHBondContact O-CB 3.36Å; T217-S221 PolarHBondContact O-N 3.26Å; R218-S221 CarbonylContact O-C 3.59Å; R218-S221 WeakPolarHBondContact O-CB 3.24Å; R218-S221 PolarHBondContact O-N 3.18Å; R218-S221 VanDerWaalsContact O-N 3.15Å; L219-S221 VanDerWaalsContact C-N 3.34Å; S221-C223 PolarHBondContact O-N 2.99Å; S221-Y224 PolarHBondContact O-N 3.39Å
222V38.7Very low43.7Very low121 Ų121110.1 Ų110.173%0.73359%0.594SS**Hα-helixtrans-73.2-15.9176.2171.50000111.4R218 L219 Y224R218-V222 VanDerWaalsContact O-CG2 3.23Å; R218-V222 WeakPolarHBondContact O-CG2 3.25Å; R218-V222 PolarHBondContact O-N 3.04Å; L219-V222 PolarHBondContact O-N 2.99Å; V222-Y224 VanDerWaalsContact C-N 3.34Å; V222-Y224 PolarHBondContact O-N 2.69Å
223C29.7Very low43.4Very low100 Ų100116 Ų11668%0.67663%0.626SS**THydrogen-bonded Turntrans-85.29.9172.5-71.50000115.2L219 S221 T225L219-C223 PolarHBondContact O-N 2.85Å; S221-C223 PolarHBondContact O-N 2.99Å; C223-T225 PolarHBondContact O-N 2.73Å
224Y29.8Very low44.3Very low189 Ų189110.1 Ų110.174%0.74160%0.598SS**SBendtrans-80.8106.5155.5-90.7-83.8000108.4S221 V222 H226S221-Y224 PolarHBondContact O-N 3.39Å; V222-Y224 VanDerWaalsContact C-N 3.34Å; V222-Y224 PolarHBondContact O-N 2.69Å; Y224-H226 VanDerWaalsContact C-N 3.31Å; Y224-H226 PolarHBondContact O-N 3.37Å
225T36.2Very low45.5Very low131 Ų131108.6 Ų108.680%0.80460%0.597SS**  trans-50.499.3159.538.90000108.5C223 V227C223-T225 PolarHBondContact O-N 2.73Å; T225-V227 PolarHBondContact O-N 2.62Å; T225-V227 VanDerWaalsContact O-N 3.11Å
226H31.7Very low46.8Very low176 Ų176105 Ų10582%0.81559%0.585SS**  trans-59.8118.7166.3-89.1-79.2000107.2Y224 G228Y224-H226 VanDerWaalsContact C-N 3.31Å; Y224-H226 PolarHBondContact O-N 3.37Å; H226-G228 VanDerWaalsContact C-N 3.35Å; H226-G228 PolarHBondContact O-N 2.79Å
227V30.5Very low48Very low139 Ų139105.7 Ų105.784%0.84259%0.588SS**  trans-56.6104.3162.2176.50000105.9T225 G229T225-V227 PolarHBondContact O-N 2.62Å; T225-V227 VanDerWaalsContact O-N 3.11Å; V227-G229 PolarHBondContact O-N 2.72Å
228G38.2Very low48.5Very low77 Ų77110 Ų11079%0.79460%0.599SS**  trans-58.5101.7175.200000109.9H226H226-G228 VanDerWaalsContact C-N 3.35Å; H226-G228 PolarHBondContact O-N 2.79Å
229G32.8Very low49.3Very low67 Ų67104 Ų10469%0.69158%0.581SS**  trans-104.6109.1160.200000107.9V227V227-G229 PolarHBondContact O-N 2.72Å
230L35.8Very low49.8Very low124 Ų124106.1 Ų106.165%0.64959%0.589SS**  trans-46.1132.5172.6-69.9143.6000111.4L232L230-L232 HydrophobicContact CB-CD1 3.87Å; L230-L232 HydrophobicContact CB-CG 3.86Å; L230-L232 HydrophobicContact CD1-CD1 3.82Å; L230-L232 HydrophobicContact CD1-CG 4.47Å; L230-L232 HydrophobicContact CG-CD1 4.41Å; L230-L232 PolarHBondContact O-N 3.3Å
231P43.4Very low50.5Low55 Ų5599.4 Ų99.436%0.35756%0.564SS.*  trans-77.969.6163.931.7-29.7000109.1N233P231-N233 PolarHBondContact O-N 3.28Å; P231-N233 VanDerWaalsContact O-N 3.11Å
232L52.1Low51.1Low120 Ų12099.1 Ų99.163%0.62856%0.562SS**  trans-67.7-6.8178.1-90.5157.2000113.8L230L230-L232 HydrophobicContact CB-CD1 3.87Å; L230-L232 HydrophobicContact CB-CG 3.86Å; L230-L232 HydrophobicContact CD1-CD1 3.82Å; L230-L232 HydrophobicContact CD1-CG 4.47Å; L230-L232 HydrophobicContact CG-CD1 4.41Å; L230-L232 PolarHBondContact O-N 3.3Å
233N58Low51.6Low142 Ų14298.7 Ų98.776%0.75955%0.551SS**  trans-115.258.9-172.9-70-22.8000112.7P231P231-N233 PolarHBondContact O-N 3.28Å; P231-N233 VanDerWaalsContact O-N 3.11Å
234M75.7Confident53Low11 Ų11100.6 Ų100.65%0.05455%0.548CS..  trans-65.1137.9164.7-79.3-174.4-98.400111I13 Y40 S45 Y61 L65I13-M234 HydrophobicContact CB-CE 4.25Å; I13-M234 HydrophobicContact CD1-CE 4.48Å; I13-M234 HydrophobicContact CG1-CE 3.86Å; I13-M234 HydrophobicContact CG2-CE 3.85Å; Y40-M234 HydrophobicContact CE2-CG 4.12Å; Y40-M234 HydrophobicContact CE2-SD 3.9Å; S45-M234 VanDerWaalsContact O-CA 3.28Å; S45-M234 WeakPolarHBondContact O-CA 3.23Å; Y61-M234 HydrophobicContact CD2-CB 4.02Å; Y61-M234 HydrophobicContact CE2-CB 4.45Å; L65-M234 HydrophobicContact CD1-CE 3.94Å; L65-M234 HydrophobicContact CD2-SD 4.46Å
235S81.8Confident54.9Low54 Ų5499.7 Ų99.738%0.37855%0.551SS.*EExtended strand (participates in β ladder)trans-127.9151.5178.1720000112.5S45 Q46 W47S45-S235 PolarHBondContact O-N 3.43Å; S45-S235 VanDerWaalsContact O-N 3.1Å; Q46-S235 CarbonylContact C-O 3.55Å; Q46-S235 WeakPolarHBondContact CA-O 3.49Å; W47-S235 PolarHBondContact N-O 2.73Å
236I82.3Confident57.2Low25 Ų2594.4 Ų94.413%0.12852%0.516CS..EExtended strand (participates in β ladder)trans-93.8131.6169.9-63.6170.5000107.4W47 L49 A59 L64 K238W47-I236 HydrophobicContact CB-CG1 4.2Å; L49-I236 HydrophobicContact CD1-CD1 4.39Å; L49-I236 HydrophobicContact CD1-CG2 3.54Å; L49-I236 HydrophobicContact CG-CG2 4.07Å; A59-I236 HydrophobicContact CB-CB 4.33Å; A59-I236 HydrophobicContact CB-CD1 3.81Å; A59-I236 HydrophobicContact CB-CG2 4.22Å; L64-I236 HydrophobicContact CB-CD1 4.24Å; L64-I236 HydrophobicContact CD2-CD1 3.99Å; L64-I236 HydrophobicContact CD2-CG1 4.09Å; I236-K238 PolarHBondContact O-N 3.45Å
237Q81.3Confident59.8Low97 Ų9786.8 Ų86.845%0.45348%0.483SS..PPolyproline II helixtrans-55131.6175.5-169.11765.900110.4Q46 W47Q46-Q237 HydrophobicContact CG-CB 4.34Å; W47-Q237 WeakPolarHBondContact O-CB 3.23Å; W47-Q237 PolarHBondContact O-N 3.44Å
238K67Low62.5Low176 Ų17680.1 Ų80.177%0.76544%0.443SS*.PPolyproline II helixtrans-71.7133.5-175.5-68.5-177.6-179.6176.20110I236 H240I236-K238 PolarHBondContact O-N 3.45Å; K238-H240 PolarHBondContact O-CD2 2.83Å; K238-H240 PolarHBondContact O-N 3.48Å
239C63Low64.8Low33 Ų3379.3 Ų79.322%0.22342%0.416CS..PPolyproline II helixtrans-64.7130.9175.4-178.70000110.5E52 I53 C55 H241E52-C239 PolarHBondContact OE2-SG 2.83Å; I53-C239 VanDerWaalsContact O-CB 3.24Å; I53-C239 WeakPolarHBondContact O-CB 3.27Å; I53-C239 PolarHBondContact O-SG 2.83Å; C55-C239 PolarHBondContact SG-O 3.4Å; C239-H241 PolarHBondContact SG-N 3.41Å; C239-H241 VanDerWaalsContact SG-N 3.39Å; C239-H241 PolarHBondContact SG-O 2.82Å; C239-H241 VanDerWaalsContact SG-O 3.38Å
240H57.3Low67.3Low128 Ų12881.2 Ų81.259%0.59341%0.405SS*.  trans-97.25.4177.8-67.8-76000112.6K238K238-H240 PolarHBondContact O-CD2 2.83Å; K238-H240 PolarHBondContact O-N 3.48Å
241H56Low69.6Low43 Ų4376.1 Ų76.120%0.19938%0.381CS..SBendtrans-134.5151.1-161-59.5-36.1000116E52 C55 C239 E512E52-H241 IonicContact OE1-CD2 3.75Å; E52-H241 IonicContact OE2-CD2 3.55Å; C55-H241 PolarHBondContact SG-O 2.8Å; C239-H241 PolarHBondContact SG-N 3.41Å; C239-H241 VanDerWaalsContact SG-N 3.39Å; C239-H241 PolarHBondContact SG-O 2.82Å; C239-H241 VanDerWaalsContact SG-O 3.38Å; H241-E512 PolarHBondContact ND1-O 2.96Å
242S51Low71.5Confident74 Ų7474 Ų7452%0.51737%0.366SS..  trans-72.8154.7-165.165.30000117.1K244S242-K244 PolarHBondContact O-N 2.65Å
243H50.3Low72.9Confident111 Ų11173 Ų7351%0.51435%0.354SS..  trans-23.867.2165-56.7-83.1000119
244K58.8Low73.9Confident140 Ų14071 Ų7161%0.60934%0.338SS*.  trans-107142.9159.5-72-175.1-178.8175.90109.2P54 S242 Y246P54-K244 WeakPolarHBondContact CG-O 3.34Å; S242-K244 PolarHBondContact O-N 2.65Å; K244-Y246 PolarHBondContact O-N 3.18Å
245Q69.8Low74Confident171 Ų17170.9 Ų70.980%0.79934%0.338SS*.  trans-55.4125.1170.9-172177.89.300108.4S247Q245-S247 PolarHBondContact O-N 3.43Å
246Y83.9Confident73.5Confident20 Ų2070 Ų708%0.07833%0.326CS..  trans-57.1131.5178176.5-87.4000109.6Q36 P51 K244 D491 F494 L495Q36-Y246 PolarHBondContact OE1-OH 3.49Å; P51-Y246 HydrophobicContact CB-CD2 4.46Å; P51-Y246 HydrophobicContact CB-CE2 4.03Å; K244-Y246 PolarHBondContact O-N 3.18Å; Y246-D491 HydrophobicContact CD1-CB 4.11Å; Y246-D491 HydrophobicContact CE1-CB 3.77Å; Y246-D491 VanDerWaalsContact CE1-CG 3.47Å; Y246-D491 VanDerWaalsContact CE1-OD1 3.28Å; Y246-D491 WeakPolarHBondContact CE1-OD1 3.44Å; Y246-F494 AromaticContact CE1-CD1 3.83Å; Y246-F494 HydrophobicContact CE1-CD1 3.83Å; Y246-F494 HydrophobicContact CE1-CE1 4.32Å; Y246-F494 HydrophobicContact CE2-CD1 4.07Å; Y246-F494 AromaticContact CE2-CE1 3.72Å; Y246-F494 HydrophobicContact CE2-CE1 3.72Å; Y246-F494 AromaticContact CZ-CD1 3.44Å; Y246-F494 VanDerWaalsContact CZ-CD1 3.44Å; Y246-F494 AromaticContact CZ-CE1 3.57Å; Y246-F494 WeakPolarHBondContact OH-CD1 3.42Å; Y246-F494 WeakPolarHBondContact OH-CE1 3.28Å; Y246-L495 HydrophobicContact CD1-CD1 3.73Å; Y246-L495 HydrophobicContact CD1-CD2 3.94Å; Y246-L495 HydrophobicContact CD1-CG 3.83Å; Y246-L495 HydrophobicContact CD2-CD2 4.3Å; Y246-L495 HydrophobicContact CE1-CD2 4.43Å; Y246-L495 HydrophobicContact CE1-CG 4.25Å; Y246-L495 HydrophobicContact CG-CD1 4.16Å; Y246-L495 HydrophobicContact CG-CD2 3.86Å; Y246-L495 HydrophobicContact CG-CG 4.25Å
247S86.3Confident72.9Confident15 Ų1575.2 Ų75.211%0.10535%0.35CS..  trans-161.6111.5176.11760000110.6Q245 K250 A251 D491Q245-S247 PolarHBondContact O-N 3.43Å; S247-K250 PolarHBondContact O-N 3.45Å; S247-K250 PolarHBondContact OG-N 3.27Å; S247-A251 PolarHBondContact O-N 2.96Å; S247-A251 VanDerWaalsContact O-N 3.1Å; S247-D491 VanDerWaalsContact CA-OD2 3.26Å; S247-D491 WeakPolarHBondContact CA-OD2 3.44Å
248S86.9Confident72.2Confident0 Ų074.3 Ų74.30%035%0.348CS..Hα-helixtrans-62.3-43.1174.660.20000111.7G35 K250 A251 K252 D491G35-S248 WeakPolarHBondContact O-CB 3.38Å; S248-K250 PolarHBondContact O-N 3.14Å; S248-A251 PolarHBondContact O-N 2.99Å; S248-A251 VanDerWaalsContact O-N 3.15Å; S248-K252 WeakPolarHBondContact O-CB 3.4Å; S248-K252 WeakPolarHBondContact O-CG 3.3Å; S248-K252 PolarHBondContact O-N 3.2Å; S248-D491 WeakPolarHBondContact CB-OD1 3.4Å; S248-D491 PolarHBondContact N-OD2 2.96Å; S248-D491 PolarHBondContact OG-OD1 3.31Å; S248-D491 PolarHBondContact OG-OD2 3.35Å; S248-D491 VanDerWaalsContact OG-OD2 3.09Å
249R87.4Confident71.8Confident60 Ų6067 Ų6723%0.22632%0.318CS..Hα-helixtrans-54.2-49.4174.4179.317861.8-173.5-21.9112.7A251 R253 D484 L487 D488R249-A251 VanDerWaalsContact C-N 3.33Å; R249-A251 PolarHBondContact O-N 2.92Å; R249-R253 WeakPolarHBondContact O-CG 3Å; R249-R253 PolarHBondContact O-N 3.25Å; R249-D484 VanDerWaalsContact CD-OD1 3.22Å; R249-D484 WeakPolarHBondContact CD-OD1 3.41Å; R249-D484 WeakPolarHBondContact CG-OD1 3.43Å; R249-L487 HydrophobicContact CB-CB 4.49Å; R249-L487 HydrophobicContact CB-CD1 4.08Å; R249-D488 IonicContact CZ-OD1 3.66Å; R249-D488 IonicContact CZ-OD2 2.64Å; R249-D488 IonicContact NE-OD1 2.92Å; R249-D488 IonicContact NH1-OD2 2.84Å; R249-D488 PolarHBondContact NH1-OD2 2.86Å; R249-D488 VanDerWaalsContact NH2-CG 3.33Å; R249-D488 IonicContact NH2-OD1 3.41Å; R249-D488 PolarHBondContact NH2-OD1 2.97Å; R249-D488 IonicContact NH2-OD2 3.2Å; R249-D488 PolarHBondContact NH2-OD2 3.41Å
250K84.8Confident71.4Confident106 Ų10668.3 Ų68.346%0.46132%0.323SS..Hα-helixtrans-66.3-36.2179.1-71.7178.6-176.9171.20111.7S247 S248 K254S247-K250 PolarHBondContact O-N 3.45Å; S247-K250 PolarHBondContact OG-N 3.27Å; S248-K250 PolarHBondContact O-N 3.14Å; K250-K254 VanDerWaalsContact O-CG 3.28Å; K250-K254 WeakPolarHBondContact O-CG 3.44Å; K250-K254 PolarHBondContact O-N 2.9Å
251A83.6Confident70.7Confident18 Ų1867.3 Ų67.315%0.14933%0.328CS..Hα-helixtrans-68.9-46.317800000112.1W50 P51 S247 S248 R249 R253 K254 M255W50-A251 HydrophobicContact CH2-CB 4.12Å; W50-A251 HydrophobicContact CZ2-CB 3.91Å; P51-A251 HydrophobicContact CB-CB 4.1Å; P51-A251 HydrophobicContact CG-CB 3.29Å; S247-A251 PolarHBondContact O-N 2.96Å; S247-A251 VanDerWaalsContact O-N 3.1Å; S248-A251 PolarHBondContact O-N 2.99Å; S248-A251 VanDerWaalsContact O-N 3.15Å; R249-A251 VanDerWaalsContact C-N 3.33Å; R249-A251 PolarHBondContact O-N 2.92Å; A251-R253 PolarHBondContact O-N 2.96Å; A251-K254 PolarHBondContact O-N 3.19Å; A251-M255 WeakPolarHBondContact O-CB 3.49Å; A251-M255 PolarHBondContact O-N 2.79Å
252K84.3Confident69.9Low9 Ų971.4 Ų71.44%0.03935%0.351CS..Hα-helixtrans-59-45.2175.1-75.6-172171.5-170.50112.6P32 F34 W50 S248 K254 M255 W256 Y369 Y483 L487P32-K252 PolarHBondContact O-NZ 3.07Å; F34-K252 VanDerWaalsContact C-NZ 3.25Å; F34-K252 WeakPolarHBondContact O-CE 3.42Å; F34-K252 PolarHBondContact O-NZ 3.28Å; W50-K252 HydrophobicContact CH2-CG 3.93Å; W50-K252 HydrophobicContact CZ3-CG 3.97Å; S248-K252 WeakPolarHBondContact O-CB 3.4Å; S248-K252 WeakPolarHBondContact O-CG 3.3Å; S248-K252 PolarHBondContact O-N 3.2Å; K252-K254 VanDerWaalsContact C-N 3.34Å; K252-K254 PolarHBondContact O-N 3.01Å; K252-M255 PolarHBondContact O-N 3.16Å; K252-W256 WeakPolarHBondContact O-CB 3.29Å; K252-W256 PolarHBondContact O-N 3.48Å; K252-Y369 HydrophobicContact CB-CD2 4.12Å; K252-Y369 HydrophobicContact CB-CE2 4.5Å; K252-Y369 HydrophobicContact CB-CG 4.33Å; K252-Y369 HydrophobicContact CD-CD2 4.19Å; K252-Y483 PolarHBondContact NZ-OH 2.83Å; K252-L487 HydrophobicContact CD-CD1 4.24Å
253R82Confident69.3Low99 Ų9970 Ų7037%0.37434%0.341SS..Hα-helixtrans-59.2-43.2175-74.4178.8-170.5178.51.7112.2R249 A251 W256 Q257 Y369 D484R249-R253 WeakPolarHBondContact O-CG 3Å; R249-R253 PolarHBondContact O-N 3.25Å; A251-R253 PolarHBondContact O-N 2.96Å; R253-W256 PolarHBondContact O-N 2.97Å; R253-Q257 WeakPolarHBondContact O-CB 3.41Å; R253-Q257 VanDerWaalsContact O-CG 3.25Å; R253-Q257 WeakPolarHBondContact O-CG 3.49Å; R253-Q257 PolarHBondContact O-N 3.43Å; R253-Y369 HydrophobicContact CG-CD1 4.24Å; R253-Y369 HydrophobicContact CG-CE1 3.46Å; R253-Y369 VanDerWaalsContact CG-CE1 3.46Å; R253-Y369 PolarHBondContact NE-OH 3.49Å; R253-D484 IonicContact CZ-OD2 3.26Å; R253-D484 IonicContact NH2-OD1 3.85Å; R253-D484 IonicContact NH2-OD2 2.86Å; R253-D484 PolarHBondContact NH2-OD2 2.81Å
254K79.4Confident68.5Low100 Ų10073.8 Ų73.844%0.43535%0.351SS..Hα-helixtrans-68-44.5178.1-75172.6-176.11690112.9K250 A251 K252 W256 Q257 L258K250-K254 VanDerWaalsContact O-CG 3.28Å; K250-K254 WeakPolarHBondContact O-CG 3.44Å; K250-K254 PolarHBondContact O-N 2.9Å; A251-K254 PolarHBondContact O-N 3.19Å; K252-K254 VanDerWaalsContact C-N 3.34Å; K252-K254 PolarHBondContact O-N 3.01Å; K254-W256 PolarHBondContact O-N 2.89Å; K254-Q257 PolarHBondContact O-N 3.3Å; K254-L258 VanDerWaalsContact O-CG 3.28Å; K254-L258 WeakPolarHBondContact O-CG 3.32Å; K254-L258 PolarHBondContact O-N 3.43Å; K254-L258 VanDerWaalsContact O-N 3.09Å
255M77.8Confident67.1Low10 Ų1070.4 Ų70.45%0.04935%0.345CS..Hα-helixtrans-56.4-44.5175.1-176.3-174.470.500109.9W50 A251 K252 L258 V259 L522 I526W50-M255 HydrophobicContact CH2-CB 4.16Å; W50-M255 HydrophobicContact CH2-CE 4.09Å; W50-M255 HydrophobicContact CH2-SD 3.71Å; W50-M255 HydrophobicContact CZ2-CB 3.98Å; W50-M255 HydrophobicContact CZ2-CG 4.39Å; W50-M255 HydrophobicContact CZ2-SD 3.87Å; W50-M255 HydrophobicContact CZ3-SD 4.42Å; A251-M255 WeakPolarHBondContact O-CB 3.49Å; A251-M255 PolarHBondContact O-N 2.79Å; K252-M255 PolarHBondContact O-N 3.16Å; M255-L258 PolarHBondContact O-N 3.38Å; M255-V259 WeakPolarHBondContact O-CG2 3.42Å; M255-V259 PolarHBondContact O-N 2.8Å; M255-L522 HydrophobicContact SD-CD2 3.68Å; M255-L522 HydrophobicContact SD-CG 4.04Å; M255-I526 HydrophobicContact CE-CD1 3.82Å; M255-I526 HydrophobicContact SD-CD1 4.06Å
256W71.1Confident65.2Low34 Ų3468.4 Ų68.413%0.12934%0.339CS..Hα-helixtrans-66.5-43.3178.6-158.7-92.3000113.5K252 R253 K254 L258 V259 D260 F365 L372 Y523K252-W256 WeakPolarHBondContact O-CB 3.29Å; K252-W256 PolarHBondContact O-N 3.48Å; R253-W256 PolarHBondContact O-N 2.97Å; K254-W256 PolarHBondContact O-N 2.89Å; W256-L258 PolarHBondContact O-N 3.19Å; W256-V259 PolarHBondContact O-N 3.4Å; W256-V259 VanDerWaalsContact O-N 3.11Å; W256-D260 PolarHBondContact O-N 2.9Å; W256-D260 VanDerWaalsContact O-N 3.11Å; W256-F365 WeakPolarHBondContact CZ2-O 3.12Å; W256-L372 HydrophobicContact CH2-CD1 3.7Å; W256-L372 HydrophobicContact CH2-CG 4.1Å; W256-L372 HydrophobicContact CZ3-CD1 3.43Å; W256-L372 VanDerWaalsContact CZ3-CD1 3.43Å; W256-L372 HydrophobicContact CZ3-CG 4.2Å; W256-Y523 HydrophobicContact CE3-CE2 4.3Å; W256-Y523 HydrophobicContact CH2-CE2 4.04Å; W256-Y523 HydrophobicContact CZ3-CD2 4.22Å; W256-Y523 AromaticContact CZ3-CE2 3.55Å; W256-Y523 HydrophobicContact CZ3-CE2 3.55Å
257Q69.9Low62.4Low135 Ų13576.2 Ų76.263%0.63138%0.377SS*.Hα-helixtrans-59.5-34.2176.5-76171.1-12.400112.5R253 K254 V259 S263R253-Q257 WeakPolarHBondContact O-CB 3.41Å; R253-Q257 VanDerWaalsContact O-CG 3.25Å; R253-Q257 WeakPolarHBondContact O-CG 3.49Å; R253-Q257 PolarHBondContact O-N 3.43Å; K254-Q257 PolarHBondContact O-N 3.3Å; Q257-V259 VanDerWaalsContact C-N 3.35Å; Q257-S263 PolarHBondContact O-OG 2.7Å
258L64.9Low59.5Low78 Ų7883.5 Ų83.541%0.40841%0.411SS..Hα-helixtrans-77-19.7178.2-69.1169.1000113.7K254 M255 W256K254-L258 VanDerWaalsContact O-CG 3.28Å; K254-L258 WeakPolarHBondContact O-CG 3.32Å; K254-L258 PolarHBondContact O-N 3.43Å; K254-L258 VanDerWaalsContact O-N 3.09Å; M255-L258 PolarHBondContact O-N 3.38Å; W256-L258 PolarHBondContact O-N 3.19Å
259V59.5Low56.5Low22 Ų2290.2 Ų90.213%0.13345%0.447CS..Hα-helixtrans-104.1-12.3-173174.80000112.5M255 W256 Q257 P261 Y523M255-V259 WeakPolarHBondContact O-CG2 3.42Å; M255-V259 PolarHBondContact O-N 2.8Å; W256-V259 PolarHBondContact O-N 3.4Å; W256-V259 VanDerWaalsContact O-N 3.11Å; Q257-V259 VanDerWaalsContact C-N 3.35Å; V259-P261 WeakPolarHBondContact O-CD 3.39Å; V259-Y523 HydrophobicContact CG1-CD1 3.68Å; V259-Y523 HydrophobicContact CG1-CD2 3.94Å; V259-Y523 HydrophobicContact CG1-CE1 3.69Å; V259-Y523 HydrophobicContact CG1-CE2 3.96Å; V259-Y523 HydrophobicContact CG1-CG 3.78Å; V259-Y523 HydrophobicContact CG2-CG 4.22Å
260D53.2Low53.6Low62 Ų6296 Ų9633%0.33248%0.481SS..  trans-51.5120.8178.7-159.6-7.8000111.5W256 D262 S263W256-D260 PolarHBondContact O-N 2.9Å; W256-D260 VanDerWaalsContact O-N 3.11Å; D260-D262 PolarHBondContact O-N 3.04Å; D260-S263 PolarHBondContact O-N 2.71Å; D260-S263 PolarHBondContact O-OG 2.68Å
261P44.3Very low50.6Low107 Ų10799.8 Ų99.870%0.69550%0.498SS*.THydrogen-bonded Turntrans-56.3-26.8-177.4-26.233.7000113.6V259V259-P261 WeakPolarHBondContact O-CD 3.39Å
262D39.4Very low48.1Very low129 Ų129104.1 Ų104.169%0.6952%0.524SS*.THydrogen-bonded Turntrans-80.9-23.7178.5-69.9-23.7000112.9D260 W264 S265D260-D262 PolarHBondContact O-N 3.04Å; D262-W264 PolarHBondContact O-N 2.93Å; D262-S265 PolarHBondContact O-N 3.23Å; D262-S265 PolarHBondContact O-OG 3.14Å
263S36.6Very low45.2Very low45 Ų45111.2 Ų111.232%0.31556%0.563SS.*G310 helixtrans-76.3-10.417972.90000113.4Q257 D260 S265Q257-S263 PolarHBondContact O-OG 2.7Å; D260-S263 PolarHBondContact O-N 2.71Å; D260-S263 PolarHBondContact O-OG 2.68Å; S263-S265 PolarHBondContact O-N 3.08Å
264W35.3Very low42.3Very low189 Ų189113.1 Ų113.172%0.71659%0.585SS**G310 helixtrans-72.3-4.7172.4-72.243.1000112.5D262 I520D262-W264 PolarHBondContact O-N 2.93Å; W264-I520 HydrophobicContact CZ2-CD1 4.22Å
265S28Very low40.2Very low69 Ų69116.7 Ų116.748%0.48361%0.608SS.*G310 helixtrans-107.8-12-17875.70000115.9D262 S263 K995D262-S265 PolarHBondContact O-N 3.23Å; D262-S265 PolarHBondContact O-OG 3.14Å; S263-S265 PolarHBondContact O-N 3.08Å; S265-K995 PolarHBondContact O-NZ 3.31Å
266L31Very low37.5Very low130 Ų130119.5 Ų119.568%0.68164%0.639SS**SBendtrans-151.592.4-177.7-104.5110.8000111.1
267E24.2Very low35.2Very low184 Ų184124.2 Ų124.286%0.8667%0.672SS**  trans175.593.5140.8-101176.7-17400110.8
268M24.9Very low32.9Very low168 Ų168123.7 Ų123.783%0.82868%0.68SS**  trans-14681.7151.8-104.1-163.27300106.4
269D25.2Very low30.9Very low140 Ų140128.1 Ų128.175%0.74970%0.703SS**  trans-141.688.7154-97.7-27.9000107.6
270L25.9Very low29.3Very low181 Ų181135.4 Ų135.495%0.94874%0.736SS**  trans-121.3105.5154.2-80.4167.5000106.4
271K23.1Very low28Very low187 Ų187141.5 Ų141.581%0.81376%0.762SS**  trans-95.5159160.8-95-166.5-178.6-176.30109.6
272P30Very low26.8Very low108 Ų108142.4 Ų142.470%0.70177%0.766SS**  trans-82.7152.9-155.433.4-34.5000113.5
273D24.2Very low25.9Very low159 Ų159141.4 Ų141.485%0.8577%0.768SS**  trans13.7117.2157.7-60.1-30.7000118.5
274T21.3Very low25.4Very low138 Ų138145.1 Ų145.185%0.84779%0.791SS**  trans-131.3127.4145.7-52.60000108G276T274-G276 PolarHBondContact O-N 2.99Å
275I33.5Very low24.8Very low176 Ų176144.9 Ų144.990%0.90380%0.797SS**  trans-55.3127.9-176.8-63.8168.3000110.1
276G22.3Very low24.6Very low68 Ų68150.4 Ų150.470%0.70182%0.816SS**  trans-156.2119.617300000110.5T274T274-G276 PolarHBondContact O-N 2.99Å
277T21.6Very low24.2Very low134 Ų134153.6 Ų153.682%0.82282%0.824SS**PPolyproline II helixtrans-50.4154.6-176.2-1.40000114.5
278P22.7Very low24.1Very low124 Ų124150.5 Ų150.581%0.80582%0.818SS**PPolyproline II helixtrans-78.1128.8-172.931-27.3000111.1
279L23.5Very low24.1Very low170 Ų170149.7 Ų149.789%0.8982%0.815SS**PPolyproline II helixtrans-84.6121.2165.1-108.4119.4000109.6
280Q25.8Very low24Very low176 Ų176150.5 Ų150.582%0.82282%0.818SS**  trans-72.2115178.1-167.5173.423.300108.7
281E24.6Very low23.8Very low189 Ų189150.4 Ų150.488%0.88381%0.812SS**  trans-114.3110.9164.4-84-175.4173.400109.2
282T20.7Very low23.9Very low126 Ų126147.9 Ų147.977%0.77381%0.805SS**  trans-64.5132.1179.516.20000111.5
283C19.6Very low23.6Very low108 Ų108148.7 Ų148.773%0.7381%0.811SS**  trans-60.5139.1158.2-174.80000109.8
284P25.4Very low23.4Very low123 Ų123148.8 Ų148.880%0.79980%0.804SS**  trans-86.9115.1162.517.4-2.1000109.5
285Q22.6Very low23.6Very low184 Ų184150.7 Ų150.786%0.8681%0.808SS**  trans-77.1147.5162.2-79.5-169.4-28.800110.9
286E24.7Very low23Very low186 Ų186150.7 Ų150.787%0.86980%0.801SS**  trans-52.2142.5164.6-69.5169.3125.700113
287K22.6Very low23Very low196 Ų196155.8 Ų155.885%0.85281%0.809SS**  -177.2121.8127.8-98.3168.9-176.3-176.20113.5
288V22.3Very low22.9Very low120 Ų120154 Ų15473%0.72781%0.807SS**  67108128.9-172.40000120.9
289I24Very low23Very low150 Ų150153.2 Ų153.277%0.76981%0.805SS**  21.5117.4129-51.1167.3000117.7
290I23.7Very low23Very low158 Ų158151 Ų15181%0.8180%0.804SS**  trans-147.8109.5135.5-62.9-168.8000110
291Q21.6Very low22.9Very low178 Ų178151.4 Ų151.483%0.83280%0.803SS**  trans56.4124.3133-121.21658.400123.4
292M24.8Very low22.8Very low134 Ų134150.2 Ų150.266%0.6680%0.797SS**  trans-64.3166.2164.2-136.9179.818000112.6F294M292-F294 HydrophobicContact CE-CD2 3.67Å; M292-F294 HydrophobicContact CE-CE2 3.43Å; M292-F294 VanDerWaalsContact CE-CE2 3.43Å; M292-F294 HydrophobicContact CE-CG 4.39Å; M292-F294 HydrophobicContact CE-CZ 3.99Å; M292-F294 HydrophobicContact SD-CD2 3.45Å; M292-F294 WeakPolarHBondContact SD-CD2 3.39Å; M292-F294 HydrophobicContact SD-CE2 3.39Å; M292-F294 WeakPolarHBondContact SD-CE2 3.31Å; M292-F294 HydrophobicContact SD-CZ 4.46Å
293P23.2Very low22.9Very low126 Ų126150.2 Ų150.282%0.81880%0.797SS**  -141.4151.5105.926.2-6.8000116.1
294F22Very low23Very low160 Ų160155.3 Ų155.370%0.70280%0.801SS**  trans-65.3153.5168-88.8-99000113.3M292M292-F294 HydrophobicContact CE-CD2 3.67Å; M292-F294 HydrophobicContact CE-CE2 3.43Å; M292-F294 VanDerWaalsContact CE-CE2 3.43Å; M292-F294 HydrophobicContact CE-CG 4.39Å; M292-F294 HydrophobicContact CE-CZ 3.99Å; M292-F294 HydrophobicContact SD-CD2 3.45Å; M292-F294 WeakPolarHBondContact SD-CD2 3.39Å; M292-F294 HydrophobicContact SD-CE2 3.39Å; M292-F294 WeakPolarHBondContact SD-CE2 3.31Å; M292-F294 HydrophobicContact SD-CZ 4.46Å
295L24Very low23Very low178 Ų178157.8 Ų157.893%0.93281%0.806SS**  trans-143.2142.3143.9-105.3164.1000110.3
296K21.6Very low22.9Very low177 Ų177154 Ų15477%0.7780%0.8SS**  trans-117.6146.6-161.1-132.6-179.7-173.2179.60109.2
297M22Very low22.9Very low174 Ų174150.7 Ų150.786%0.85780%0.797SS**  trans82.4117.4135.4-146.6163.1-165.500121.3
298A20.4Very low22.9Very low96 Ų96148.2 Ų148.279%0.79379%0.793SS**  -166.6118.1128.800000106.8
299S23.3Very low22.9Very low109 Ų109149.3 Ų149.376%0.76279%0.79SS**  60.8100.161.5173.80000114.3
300S23.6Very low23.1Very low123 Ų123151.4 Ų151.486%0.8679%0.793SS**  trans-163.7145.2134.552.50000111.5
301K23.4Very low23Very low185 Ų185148.9 Ų148.980%0.80478%0.782SS**  trans-98.2170.9-178.3-77.4176.7168.4179.20110.7
302E23.5Very low23.2Very low164 Ų164148.6 Ų148.677%0.76678%0.782SS**  trans75.8131.9156.2-76.2170159.800116.1
303T22.4Very low23.1Very low126 Ų126147.6 Ų147.677%0.77378%0.776SS**  cis-161.2151.948.6-49.90000112.6
304R21.6Very low23.1Very low214 Ų214151 Ų15181%0.80877%0.774SS**  trans-42.3145.7170.2-60170.5-124.8-175.4-1116
305I25.2Very low23.1Very low176 Ų176147.7 Ų147.790%0.90378%0.776SS**  -138.4128.5125.4-61.3-174.7000108.7
306S20.6Very low23.1Very low105 Ų105149 Ų14973%0.73477%0.774SS**  trans-90.5149.1176.449.40000112.6
307S24.6Very low23.3Very low116 Ų116150.3 Ų150.381%0.81178%0.779SS**  trans-167.9103.3137.855.10000107.7
308L23.1Very low23.4Very low144 Ų144148 Ų14875%0.75478%0.781SS**  91.1100.574.1-165.575.5000112.1
309E23.3Very low23.6Very low143 Ų143148.6 Ų148.667%0.66878%0.779SS**  trans48.1128138-62.5167.6178.500121.6
310K26.3Very low23.6Very low193 Ų193151.9 Ų151.984%0.83979%0.785SS**  -168.3110.694.3-98.9173.1-178.1176.60113.2
311D23.6Very low23.9Very low106 Ų106154.9 Ų154.957%0.56778%0.782SS**  trans13.2136.1137.7-55-28000121.2
312M24.3Very low23.9Very low172 Ų172153.4 Ų153.485%0.84778%0.783SS**  -157.9120.7106-94-94.955.300111.9
313H23.6Very low24Very low112 Ų112154.9 Ų154.952%0.51979%0.787SS.*  trans-72179.2169.2-57.9-97.7000112.3
314Y23.2Very low24.2Very low199 Ų199153.3 Ų153.378%0.7879%0.786SS**  cis-168.2157.725.4-113.6-66.2000110.5
315A21.7Very low24.7Very low90 Ų90152 Ų15274%0.74479%0.786SS**  trans70.7142.2145.400000119.1
316K24.1Very low24.6Very low204 Ų204148.5 Ų148.589%0.88778%0.778SS**  cis-163.5147.936.9-158.4173.7-174.1176.10110.9
317K26.6Very low24.9Very low205 Ų205151.5 Ų151.589%0.89178%0.78SS**  trans-70.2148.1171.3-75.1172.9172.4174.30112.2
318S23.9Very low24.9Very low127 Ų127153.6 Ų153.689%0.88878%0.781SS**  trans-162.4162.2134.858.40000112.1
319S23.1Very low25.3Very low108 Ų108154.2 Ų154.276%0.75578%0.78SS**  trans-107.1170.1-15053.40000116.1
320M23.8Very low25.4Very low178 Ų178154 Ų15488%0.87778%0.781SS**  trans93.7115.3152.6-71.3-172.183.200120.5
321K30.7Very low25.6Very low185 Ų185152.6 Ų152.680%0.80478%0.777SS**  trans-12.7134.9155.9-63.1173.4175.8177.10117.8
322N23Very low25.9Very low155 Ų155149.1 Ų149.183%0.82977%0.767SS**  -170.4142.6110.7-93.1-28.4000114.2
323K25.7Very low26.4Very low195 Ų195145.1 Ų145.185%0.84875%0.748SS**  trans6.4136.8161.2-75.4174.8173.7176.10121.7
324A26.5Very low26.9Very low92 Ų92147.6 Ų147.676%0.7676%0.758SS**  trans81.2131.3135.200000119.2
325K32.2Very low27.6Very low186 Ų186145.6 Ų145.681%0.80976%0.755SS**  trans64.994.4163-61.7-178.8179.3-177.30116.5
326S23.8Very low28.1Very low103 Ų103145.2 Ų145.272%0.7274%0.744SS**  trans-119.593144.257.90000105.8L328S326-L328 VanDerWaalsContact C-N 3.28Å; S326-L328 PolarHBondContact O-N 3.32Å
327H26.6Very low28.8Very low168 Ų168141.8 Ų141.878%0.77873%0.729SS**  2074.384.8-74.4-70.7000112.2H329H327-H329 PolarHBondContact O-N 3.47Å
328L25.1Very low29.4Very low161 Ų161134.9 Ų134.984%0.84370%0.704SS**  trans-78.9100.3150.4-77170.9000106.6S326 M330S326-L328 VanDerWaalsContact C-N 3.28Å; S326-L328 PolarHBondContact O-N 3.32Å; L328-M330 PolarHBondContact O-N 2.67Å
329H29.9Very low29.9Very low156 Ų156131.6 Ų131.672%0.72268%0.681SS**  trans-61.897170.8-158.3-72.7000108.5H327H327-H329 PolarHBondContact O-N 3.47Å
330M26.8Very low30.6Very low140 Ų140130.3 Ų130.369%0.6967%0.669SS**  trans-107.950.3167.1-85.8-70.5-78.500109.6L328 L333L328-M330 PolarHBondContact O-N 2.67Å; M330-L333 HydrophobicContact SD-CD1 4.01Å
331E29.9Very low31.4Very low162 Ų162127.4 Ų127.476%0.75765%0.653SS**SBendtrans-125.235.9-179.1-156.6142-151.300111.3
332G29.8Very low31.8Very low34 Ų34123.9 Ų123.935%0.35164%0.642SS.*SBendtrans-146.9-11.3-177.400000116.5T336G332-T336 PolarHBondContact O-OG1 2.95Å
333L34.3Very low32.5Very low88 Ų88127.3 Ų127.346%0.46164%0.643SS.*Hα-helixtrans-86.8-30.9-174.6-93.7158.6000113.9M330 K337M330-L333 HydrophobicContact SD-CD1 4.01Å; L333-K337 HydrophobicContact CD2-CD 4.4Å; L333-K337 WeakPolarHBondContact O-CB 3.29Å
334F34.8Very low33.2Very low164 Ų164123 Ų12372%0.71963%0.634SS**Hα-helixtrans-81.6-41.3-179.9-73.6-78000112.3V338F334-V338 WeakPolarHBondContact O-CB 3.39Å; F334-V338 WeakPolarHBondContact O-CG2 3.39Å; F334-V338 PolarHBondContact O-N 3.44Å; F334-V338 VanDerWaalsContact O-N 3.11Å
335E37.1Very low33.9Very low156 Ų156122.6 Ų122.673%0.72962%0.621SS**Hα-helixtrans-72.5-36.8-179.3-71-171.615800113.5S339E335-S339 VanDerWaalsContact O-CB 3.24Å; E335-S339 WeakPolarHBondContact O-CB 3.46Å; E335-S339 PolarHBondContact O-N 3.09Å; E335-S339 PolarHBondContact O-OG 2.77Å
336T33Very low34.1Very low82 Ų82120.1 Ų120.150%0.50362%0.622SS.*Hα-helixtrans-78.6-33.6-178.155.30000113.4G332 S339 T340G332-T336 PolarHBondContact O-OG1 2.95Å; T336-S339 WeakPolarHBondContact CA-OG 3.38Å; T336-S339 PolarHBondContact O-OG 3.23Å; T336-T340 WeakPolarHBondContact O-CB 3.36Å; T336-T340 VanDerWaalsContact O-CG2 3.28Å; T336-T340 WeakPolarHBondContact O-CG2 3.47Å; T336-T340 PolarHBondContact O-N 3.17Å; T336-T340 PolarHBondContact O-OG1 3.18Å
337K38.4Very low35Very low132 Ų132118 Ų11857%0.57461%0.606SS**Hα-helixtrans-74.8-38.9173-76-176.2175.3-177.30112.4L333 T340 H341L333-K337 HydrophobicContact CD2-CD 4.4Å; L333-K337 WeakPolarHBondContact O-CB 3.29Å; K337-T340 WeakPolarHBondContact CA-OG1 3.41Å; K337-T340 PolarHBondContact O-N 2.81Å; K337-T340 PolarHBondContact O-OG1 2.93Å; K337-T340 VanDerWaalsContact O-OG1 3.13Å; K337-H341 WeakPolarHBondContact O-CB 3.36Å; K337-H341 PolarHBondContact O-N 3.3Å
338V38.9Very low35.7Very low60 Ų60117.2 Ų117.236%0.36461%0.606SS.*Hα-helixtrans-66.7-41.1176.8172.90000110.9F334 T340 L342F334-V338 WeakPolarHBondContact O-CB 3.39Å; F334-V338 WeakPolarHBondContact O-CG2 3.39Å; F334-V338 PolarHBondContact O-N 3.44Å; F334-V338 VanDerWaalsContact O-N 3.11Å; V338-T340 PolarHBondContact O-N 3.25Å; V338-L342 HydrophobicContact CG1-CD1 3.76Å; V338-L342 HydrophobicContact CG1-CG 4.37Å; V338-L342 WeakPolarHBondContact O-CB 3.46Å; V338-L342 WeakPolarHBondContact O-CD1 3.47Å; V338-L342 WeakPolarHBondContact O-CG 3.42Å; V338-L342 PolarHBondContact O-N 2.84Å
339S34.6Very low36.8Very low59 Ų59112.2 Ų112.241%0.41358%0.579SS.*Hα-helixtrans-70.8-27.717755.20000114.4E335 T336E335-S339 VanDerWaalsContact O-CB 3.24Å; E335-S339 WeakPolarHBondContact O-CB 3.46Å; E335-S339 PolarHBondContact O-N 3.09Å; E335-S339 PolarHBondContact O-OG 2.77Å; T336-S339 WeakPolarHBondContact CA-OG 3.38Å; T336-S339 PolarHBondContact O-OG 3.23Å
340T37.9Very low37.6Very low80 Ų80110.6 Ų110.649%0.49157%0.572SS.*Hα-helixtrans-82.6-34.5175.8490000113T336 K337 V338 T344T336-T340 WeakPolarHBondContact O-CB 3.36Å; T336-T340 VanDerWaalsContact O-CG2 3.28Å; T336-T340 WeakPolarHBondContact O-CG2 3.47Å; T336-T340 PolarHBondContact O-N 3.17Å; T336-T340 PolarHBondContact O-OG1 3.18Å; K337-T340 WeakPolarHBondContact CA-OG1 3.41Å; K337-T340 PolarHBondContact O-N 2.81Å; K337-T340 PolarHBondContact O-OG1 2.93Å; K337-T340 VanDerWaalsContact O-OG1 3.13Å; V338-T340 PolarHBondContact O-N 3.25Å; T340-T344 PolarHBondContact O-OG1 3.12Å
341H40.6Very low38.6Very low118 Ų118111.1 Ų111.155%0.54657%0.572SS.*Hα-helixtrans-72-36.2172.8-87.110.3000113.6K337 R343 T344 V345K337-H341 WeakPolarHBondContact O-CB 3.36Å; K337-H341 PolarHBondContact O-N 3.3Å; H341-R343 PolarHBondContact O-N 3.22Å; H341-T344 PolarHBondContact O-N 2.8Å; H341-V345 PolarHBondContact O-N 3.48Å
342L38Very low39.7Very low111 Ų111105.4 Ų105.458%0.58155%0.55SS**THydrogen-bonded Turntrans-64.5-19.9175.9-74.7169.3000113.6V338 I423V338-L342 HydrophobicContact CG1-CD1 3.76Å; V338-L342 HydrophobicContact CG1-CG 4.37Å; V338-L342 WeakPolarHBondContact O-CB 3.46Å; V338-L342 WeakPolarHBondContact O-CD1 3.47Å; V338-L342 WeakPolarHBondContact O-CG 3.42Å; V338-L342 PolarHBondContact O-N 2.84Å; L342-I423 HydrophobicContact CD2-CG2 4.46Å
343R38.1Very low40.8Very low226 Ų226106.7 Ų106.785%0.85355%0.554SS**THydrogen-bonded Turntrans-91.4-14.4177.3-74.2-174.1-176.2177.53.1114.6H341H341-R343 PolarHBondContact O-N 3.22Å
344T40.8Very low42Very low106 Ų106107.5 Ų107.565%0.6555%0.554SS**THydrogen-bonded Turntrans-119.4-15.9-16939.60000115.4T340 H341T340-T344 PolarHBondContact O-OG1 3.12Å; H341-T344 PolarHBondContact O-N 2.8Å
345V40.7Very low42.9Very low82 Ų82105.7 Ų105.750%0.49755%0.549SS..  trans-124.8103.4-178.8-172.70000109.5H341 P347H341-V345 PolarHBondContact O-N 3.48Å; V345-P347 HydrophobicContact CG1-CB 4.48Å; V345-P347 VanDerWaalsContact O-CD 3.25Å; V345-P347 WeakPolarHBondContact O-CD 3.34Å
346T37.7Very low43.8Very low134 Ų134101.6 Ų101.682%0.82254%0.535SS*.  trans-73.6106.3152.2-3.80000105I348T346-I348 PolarHBondContact O-N 3.15Å
347P41.4Very low45.1Very low58 Ų5898 Ų9838%0.37751%0.513SS..  trans-69.1123.6-178.614.6-5.2000107.3V345 I349V345-P347 HydrophobicContact CG1-CB 4.48Å; V345-P347 VanDerWaalsContact O-CD 3.25Å; V345-P347 WeakPolarHBondContact O-CD 3.34Å; P347-I349 VanDerWaalsContact C-N 3.25Å; P347-I349 HydrophobicContact CB-CG1 4.08Å; P347-I349 HydrophobicContact CG-CD1 4.39Å; P347-I349 HydrophobicContact CG-CG1 4.36Å; P347-I349 PolarHBondContact O-N 2.94Å
348I43Very low46.1Very low152 Ų15295.3 Ų95.378%0.77950%0.502SS*.  trans-7093166.6-60.7172.9000105.4T346 H350T346-I348 PolarHBondContact O-N 3.15Å; I348-H350 PolarHBondContact O-N 3.04Å
349I46.9Very low47.1Very low56 Ų5698.7 Ų98.729%0.28751%0.512SS..  trans-80.8110.4-179.1-63.6166.9000107.7P347 H351 A422P347-I349 VanDerWaalsContact C-N 3.25Å; P347-I349 HydrophobicContact CB-CG1 4.08Å; P347-I349 HydrophobicContact CG-CD1 4.39Å; P347-I349 HydrophobicContact CG-CG1 4.36Å; P347-I349 PolarHBondContact O-N 2.94Å; I349-H351 PolarHBondContact O-N 3.19Å; I349-H351 VanDerWaalsContact O-N 3.15Å; I349-A422 HydrophobicContact CD1-CB 3.27Å
350H46.6Very low48.2Very low122 Ų12296.2 Ų96.257%0.56550%0.495SS*.  trans-70.2108.4165.9-86.1-73.6000108.8I348 S352 D463I348-H350 PolarHBondContact O-N 3.04Å; H350-S352 VanDerWaalsContact C-N 3.29Å; H350-S352 PolarHBondContact O-N 3.49Å; H350-D463 IonicContact CD2-OD2 3.82Å; H350-D463 IonicContact CG-OD2 3.79Å
351H48.2Very low49.3Very low152 Ų15293.9 Ų93.970%0.70448%0.479SS*.  trans-70.887.8172.6-83.4-75.8000110.1I349 S353I349-H351 PolarHBondContact O-N 3.19Å; I349-H351 VanDerWaalsContact O-N 3.15Å; H351-S353 PolarHBondContact O-N 2.96Å
352S52.2Low50.2Low42 Ų4295.6 Ų95.629%0.29449%0.485SS..  trans-52.6128.5163.1-79.40000110.1H350 K354 D463H350-S352 VanDerWaalsContact C-N 3.29Å; H350-S352 PolarHBondContact O-N 3.49Å; S352-K354 PolarHBondContact O-N 2.72Å; S352-D463 PolarHBondContact OG-OD1 3.32Å
353S54.8Low51Low61 Ų6196.8 Ų96.843%0.42749%0.488SS..  trans-61.3132.7-179.996.10000110.6H351 M355 T356 I357H351-S353 PolarHBondContact O-N 2.96Å; S353-M355 PolarHBondContact O-N 3.4Å; S353-T356 WeakPolarHBondContact O-CA 3.45Å; S353-T356 WeakPolarHBondContact O-CB 3.31Å; S353-T356 PolarHBondContact O-N 2.83Å; S353-T356 PolarHBondContact OG-N 3.35Å; S353-T356 VanDerWaalsContact OG-N 3.15Å; S353-T356 PolarHBondContact OG-OG1 3.16Å; S353-I357 PolarHBondContact O-N 3.2Å
354K58.2Low51.6Low105 Ų10586.2 Ų86.246%0.45745%0.448SS..Hα-helixtrans-50.6-32.8176.6-175.1175.4179.6172.70112.1S352 Q358 V414S352-K354 PolarHBondContact O-N 2.72Å; K354-Q358 WeakPolarHBondContact O-CB 3.46Å; K354-Q358 WeakPolarHBondContact O-CG 3.46Å; K354-Q358 PolarHBondContact O-N 3.07Å; K354-V414 VanDerWaalsContact CE-O 3.28Å; K354-V414 WeakPolarHBondContact CE-O 3.26Å; K354-V414 PolarHBondContact NZ-O 3.13Å
355M53.5Low52.1Low125 Ų12584.2 Ų84.262%0.61643%0.431SS*.Hα-helixtrans-69.4-33.9176.1-65.2-139.683.800113.6S353 K359S353-M355 PolarHBondContact O-N 3.4Å; M355-K359 WeakPolarHBondContact O-CB 3.46Å; M355-K359 VanDerWaalsContact O-CG 3.29Å; M355-K359 WeakPolarHBondContact O-CG 3.43Å; M355-K359 PolarHBondContact O-N 3.34Å
356T57.5Low52.7Low70 Ų7084.6 Ų84.643%0.42944%0.437SS..Hα-helixtrans-69.1-42.4176.7-48.90000110.5S353 K359 A360 I465S353-T356 WeakPolarHBondContact O-CA 3.45Å; S353-T356 WeakPolarHBondContact O-CB 3.31Å; S353-T356 PolarHBondContact O-N 2.83Å; S353-T356 PolarHBondContact OG-N 3.35Å; S353-T356 VanDerWaalsContact OG-N 3.15Å; S353-T356 PolarHBondContact OG-OG1 3.16Å; T356-K359 PolarHBondContact O-N 3.45Å; T356-A360 PolarHBondContact O-N 3.11Å; T356-I465 HydrophobicContact CG2-CD1 3.78Å
357I59.4Low53.4Low8 Ų879.7 Ų79.74%0.04141%0.405CS..Hα-helixtrans-65.6-45.9176.5-60.8169.4000110.8S353 K359 A360 I361 L410 L413 V414 I465S353-I357 PolarHBondContact O-N 3.2Å; I357-K359 VanDerWaalsContact C-N 3.29Å; I357-K359 PolarHBondContact O-N 3.11Å; I357-A360 PolarHBondContact O-N 2.62Å; I357-A360 VanDerWaalsContact O-N 3.15Å; I357-I361 HydrophobicContact CG2-CD1 3.87Å; I357-I361 HydrophobicContact CG2-CG1 4.46Å; I357-I361 WeakPolarHBondContact O-CG1 3.47Å; I357-I361 PolarHBondContact O-N 3.12Å; I357-L410 HydrophobicContact CG2-CD2 4.38Å; I357-L413 HydrophobicContact CD1-CB 4.25Å; I357-L413 HydrophobicContact CD1-CD1 4.39Å; I357-V414 HydrophobicContact CG2-CG2 3.72Å; I357-I465 HydrophobicContact CG1-CD1 4.27Å
358Q58.8Low54.4Low74 Ų7477.8 Ų77.835%0.34640%0.396SS..Hα-helixtrans-61.9-35.1174.6-76.4-178.2-9.400112.9K354 K362 V414K354-Q358 WeakPolarHBondContact O-CB 3.46Å; K354-Q358 WeakPolarHBondContact O-CG 3.46Å; K354-Q358 PolarHBondContact O-N 3.07Å; Q358-K362 WeakPolarHBondContact O-CB 3.37Å; Q358-K362 VanDerWaalsContact O-CG 3.26Å; Q358-K362 WeakPolarHBondContact O-CG 3.38Å; Q358-K362 PolarHBondContact O-N 3.3Å; Q358-V414 HydrophobicContact CG-CG1 4.45Å
359K61.3Low55.8Low132 Ų13271.8 Ų71.857%0.57436%0.364SS*.Hα-helixtrans-68.4-39.1173.3-80.1177.8-178.3178.30112.3M355 T356 I357 K362 Q363M355-K359 WeakPolarHBondContact O-CB 3.46Å; M355-K359 VanDerWaalsContact O-CG 3.29Å; M355-K359 WeakPolarHBondContact O-CG 3.43Å; M355-K359 PolarHBondContact O-N 3.34Å; T356-K359 PolarHBondContact O-N 3.45Å; I357-K359 VanDerWaalsContact C-N 3.29Å; I357-K359 PolarHBondContact O-N 3.11Å; K359-K362 CarbonylContact O-C 3.55Å; K359-K362 WeakPolarHBondContact O-CB 3.23Å; K359-K362 PolarHBondContact O-N 3.21Å; K359-Q363 WeakPolarHBondContact O-CG 3.25Å; K359-Q363 PolarHBondContact O-N 2.96Å
360A57.5Low57.5Low7 Ų769.6 Ų69.66%0.05835%0.352CS..Hα-helixtrans-68-40.117700000112.3T356 I357 K362 Q363 S364 I465 P469T356-A360 PolarHBondContact O-N 3.11Å; I357-A360 PolarHBondContact O-N 2.62Å; I357-A360 VanDerWaalsContact O-N 3.15Å; A360-K362 VanDerWaalsContact C-N 3.33Å; A360-Q363 PolarHBondContact O-N 3.27Å; A360-S364 PolarHBondContact O-N 3.06Å; A360-I465 HydrophobicContact CB-CD1 3.56Å; A360-I465 HydrophobicContact CB-CG1 3.83Å; A360-P469 HydrophobicContact CB-CG 4.27Å
361I60.3Low59.3Low31 Ų3163.8 Ų63.816%0.15933%0.326CS..Hα-helixtrans-62.3-43.1170.2-64.8164.8000109.7I357 Q363 S364 F365 L410 V414I357-I361 HydrophobicContact CG2-CD1 3.87Å; I357-I361 HydrophobicContact CG2-CG1 4.46Å; I357-I361 WeakPolarHBondContact O-CG1 3.47Å; I357-I361 PolarHBondContact O-N 3.12Å; I361-Q363 VanDerWaalsContact C-N 3.26Å; I361-Q363 PolarHBondContact O-N 3.47Å; I361-S364 PolarHBondContact O-N 3.31Å; I361-S364 VanDerWaalsContact O-N 3.1Å; I361-S364 PolarHBondContact O-OG 2.98Å; I361-F365 HydrophobicContact CG2-CE2 3.72Å; I361-F365 HydrophobicContact CG2-CZ 4.26Å; I361-F365 WeakPolarHBondContact O-CD2 3.39Å; I361-F365 WeakPolarHBondContact O-CE2 2.93Å; I361-F365 PolarHBondContact O-N 3.32Å; I361-L410 HydrophobicContact CD1-CB 4.3Å; I361-L410 HydrophobicContact CG1-CD1 4.17Å; I361-V414 HydrophobicContact CD1-CG2 3.65Å
362K58.8Low60.9Low153 Ų15356.9 Ų56.967%0.66529%0.294SS*.Hα-helixtrans-58.6-35.9173.5-79.6-179.2-179.8-1720113.4Q358 K359 A360Q358-K362 WeakPolarHBondContact O-CB 3.37Å; Q358-K362 VanDerWaalsContact O-CG 3.26Å; Q358-K362 WeakPolarHBondContact O-CG 3.38Å; Q358-K362 PolarHBondContact O-N 3.3Å; K359-K362 CarbonylContact O-C 3.55Å; K359-K362 WeakPolarHBondContact O-CB 3.23Å; K359-K362 PolarHBondContact O-N 3.21Å; A360-K362 VanDerWaalsContact C-N 3.33Å
363Q56.3Low62.5Low137 Ų13754.9 Ų54.964%0.6428%0.28SS*.Hα-helixtrans-75.6-27.5175.8-74.4173.1-10.400112.9K359 A360 I361 F365 S366K359-Q363 WeakPolarHBondContact O-CG 3.25Å; K359-Q363 PolarHBondContact O-N 2.96Å; A360-Q363 PolarHBondContact O-N 3.27Å; I361-Q363 VanDerWaalsContact C-N 3.26Å; I361-Q363 PolarHBondContact O-N 3.47Å; Q363-F365 VanDerWaalsContact C-N 3.28Å; Q363-F365 PolarHBondContact O-N 3.31Å; Q363-S366 VanDerWaalsContact O-CB 3.31Å; Q363-S366 WeakPolarHBondContact O-CB 3.05Å; Q363-S366 PolarHBondContact O-N 3.39Å; Q363-S366 VanDerWaalsContact O-N 3.09Å; Q363-S366 PolarHBondContact O-OG 2.89Å
364S50.4Low64.1Low3 Ų352 Ų522%0.02126%0.26CS..Hα-helixtrans-70.6-24.3174.175.40000112.4A360 I361 S366 L367 H371A360-S364 PolarHBondContact O-N 3.06Å; I361-S364 PolarHBondContact O-N 3.31Å; I361-S364 VanDerWaalsContact O-N 3.1Å; I361-S364 PolarHBondContact O-OG 2.98Å; S364-S366 PolarHBondContact O-N 3.41Å; S364-S366 VanDerWaalsContact O-N 3.17Å; S364-L367 WeakPolarHBondContact O-CB 3.21Å; S364-L367 WeakPolarHBondContact O-CD1 3.26Å; S364-L367 WeakPolarHBondContact O-CG 3.29Å; S364-L367 PolarHBondContact O-N 3.47Å; S364-L367 VanDerWaalsContact O-N 3.11Å; S364-H371 PolarHBondContact O-CD2 3.11Å; S364-H371 PolarHBondContact OG-NE2 2.86Å; S364-H371 VanDerWaalsContact OG-NE2 3.07Å
365F51.3Low65.4Low65 Ų6547.2 Ų47.229%0.28524%0.239SC..G310 helixtrans-64.5-13.5168.3-63-82.6000113.4W256 I361 Q363 L367 L372W256-F365 WeakPolarHBondContact CZ2-O 3.12Å; I361-F365 HydrophobicContact CG2-CE2 3.72Å; I361-F365 HydrophobicContact CG2-CZ 4.26Å; I361-F365 WeakPolarHBondContact O-CD2 3.39Å; I361-F365 WeakPolarHBondContact O-CE2 2.93Å; I361-F365 PolarHBondContact O-N 3.32Å; Q363-F365 VanDerWaalsContact C-N 3.28Å; Q363-F365 PolarHBondContact O-N 3.31Å; F365-L367 PolarHBondContact O-N 3.03Å; F365-L372 HydrophobicContact CD1-CD2 3.96Å; F365-L372 HydrophobicContact CE1-CD2 4.03Å
366S52.1Low67.1Low89 Ų8941.2 Ų41.262%0.62221%0.21SC*.G310 helixtrans-74.74.5172.290.70000113.1Q363 S364Q363-S366 VanDerWaalsContact O-CB 3.31Å; Q363-S366 WeakPolarHBondContact O-CB 3.05Å; Q363-S366 PolarHBondContact O-N 3.39Å; Q363-S366 VanDerWaalsContact O-N 3.09Å; Q363-S366 PolarHBondContact O-OG 2.89Å; S364-S366 PolarHBondContact O-N 3.41Å; S364-S366 VanDerWaalsContact O-N 3.17Å
367L52.4Low68.6Low32 Ų3237.9 Ų37.917%0.16819%0.189CC..G310 helixtrans-89.68.6-174.6-67.3170000114.9S364 F365 H371 Q472 K473S364-L367 WeakPolarHBondContact O-CB 3.21Å; S364-L367 WeakPolarHBondContact O-CD1 3.26Å; S364-L367 WeakPolarHBondContact O-CG 3.29Å; S364-L367 PolarHBondContact O-N 3.47Å; S364-L367 VanDerWaalsContact O-N 3.11Å; F365-L367 PolarHBondContact O-N 3.03Å; L367-H371 HydrophobicContact CB-CB 4.09Å; L367-Q472 HydrophobicContact CD1-CB 4.45Å; L367-K473 HydrophobicContact CD1-CB 4.15Å; L367-K473 HydrophobicContact CD2-CB 3.52Å; L367-K473 HydrophobicContact CD2-CD 3.68Å; L367-K473 HydrophobicContact CD2-CG 3.39Å
368G63.2Low69.9Low17 Ų1739.7 Ų39.718%0.17520%0.202CC..  trans91.3174.317500000114.2I370 H371G368-I370 PolarHBondContact O-N 3.23Å; G368-H371 PolarHBondContact O-N 3.23Å; G368-H371 VanDerWaalsContact O-N 3.14Å
369Y72.6Confident71.2Confident27 Ų2737.9 Ų37.911%0.10619%0.193CC..Hα-helixtrans-56.2-24.2-179.467.2-82.8000114K252 R253 L372 A373 Y483 D484 L487K252-Y369 HydrophobicContact CB-CD2 4.12Å; K252-Y369 HydrophobicContact CB-CE2 4.5Å; K252-Y369 HydrophobicContact CB-CG 4.33Å; K252-Y369 HydrophobicContact CD-CD2 4.19Å; R253-Y369 HydrophobicContact CG-CD1 4.24Å; R253-Y369 HydrophobicContact CG-CE1 3.46Å; R253-Y369 VanDerWaalsContact CG-CE1 3.46Å; R253-Y369 PolarHBondContact NE-OH 3.49Å; Y369-L372 PolarHBondContact O-N 2.97Å; Y369-A373 PolarHBondContact O-N 3.32Å; Y369-Y483 AromaticContact CD2-CE1 3.92Å; Y369-Y483 HydrophobicContact CD2-CE1 3.92Å; Y369-Y483 AromaticContact CE2-CD1 3.98Å; Y369-Y483 HydrophobicContact CE2-CD1 3.98Å; Y369-Y483 AromaticContact CE2-CE1 3.7Å; Y369-Y483 HydrophobicContact CE2-CE1 3.7Å; Y369-D484 PolarHBondContact OH-OD1 3.39Å; Y369-L487 HydrophobicContact CE2-CD1 4.38Å
370I82.8Confident72.4Confident9 Ų931.6 Ų31.65%0.04617%0.165CC..Hα-helixtrans-69.4-34.1-179.6-150.6164.1000112.6G368 L372 A373 L374 C476 Y483G368-I370 PolarHBondContact O-N 3.23Å; I370-L372 VanDerWaalsContact C-N 3.28Å; I370-L372 PolarHBondContact O-N 3.17Å; I370-A373 WeakPolarHBondContact O-CB 3.43Å; I370-A373 PolarHBondContact O-N 3.24Å; I370-A373 VanDerWaalsContact O-N 3.09Å; I370-L374 HydrophobicContact CG1-CG 4.49Å; I370-L374 WeakPolarHBondContact O-CG 3.32Å; I370-L374 PolarHBondContact O-N 3.17Å; I370-C476 HydrophobicContact CG2-CB 3.65Å; I370-Y483 HydrophobicContact CD1-CD1 3.92Å; I370-Y483 HydrophobicContact CD1-CG 4.07Å; I370-Y483 HydrophobicContact CG1-CD1 3.76Å; I370-Y483 HydrophobicContact CG1-CE1 4.42Å; I370-Y483 HydrophobicContact CG1-CG 4.06Å
371H83.4Confident73.8Confident1 Ų131.5 Ų31.51%0.00517%0.165CC..Hα-helixtrans-59.3-43.3177.5175.2-72.3000110.6S364 L367 G368 L374 C375 W403S364-H371 PolarHBondContact O-CD2 3.11Å; S364-H371 PolarHBondContact OG-NE2 2.86Å; S364-H371 VanDerWaalsContact OG-NE2 3.07Å; L367-H371 HydrophobicContact CB-CB 4.09Å; G368-H371 PolarHBondContact O-N 3.23Å; G368-H371 VanDerWaalsContact O-N 3.14Å; H371-L374 PolarHBondContact O-N 3.45Å; H371-C375 PolarHBondContact O-N 3.01Å; H371-C375 PolarHBondContact O-SG 3.32Å; H371-W403 AromaticContact CD2-CZ2 3.91Å
372L81.5Confident75.2Confident6 Ų632.4 Ų32.43%0.03117%0.17CC..Hα-helixtrans-66.8-38.3175.1-64.5-175.1000112P32 W256 F365 Y369 I370 C375 A376 Y523 L530P32-L372 HydrophobicContact CB-CB 3.79Å; P32-L372 HydrophobicContact CG-CB 3.86Å; P32-L372 WeakPolarHBondContact CG-O 3.38Å; W256-L372 HydrophobicContact CH2-CD1 3.7Å; W256-L372 HydrophobicContact CH2-CG 4.1Å; W256-L372 HydrophobicContact CZ3-CD1 3.43Å; W256-L372 VanDerWaalsContact CZ3-CD1 3.43Å; W256-L372 HydrophobicContact CZ3-CG 4.2Å; F365-L372 HydrophobicContact CD1-CD2 3.96Å; F365-L372 HydrophobicContact CE1-CD2 4.03Å; Y369-L372 PolarHBondContact O-N 2.97Å; I370-L372 VanDerWaalsContact C-N 3.28Å; I370-L372 PolarHBondContact O-N 3.17Å; L372-C375 WeakPolarHBondContact O-CB 3.34Å; L372-C375 PolarHBondContact O-N 3.11Å; L372-A376 WeakPolarHBondContact O-CB 3.38Å; L372-A376 PolarHBondContact O-N 3.47Å; L372-Y523 HydrophobicContact CD1-CE2 4.34Å; L372-L530 HydrophobicContact CD2-CD2 3.94Å
373A86.9Confident76.7Confident1 Ų125.2 Ų25.21%0.00814%0.139CC..Hα-helixtrans-61.8-44.6176.500000112Y369 I370 A376 D377 Y483Y369-A373 PolarHBondContact O-N 3.32Å; I370-A373 WeakPolarHBondContact O-CB 3.43Å; I370-A373 PolarHBondContact O-N 3.24Å; I370-A373 VanDerWaalsContact O-N 3.09Å; A373-A376 PolarHBondContact O-N 3.16Å; A373-D377 PolarHBondContact O-N 2.93Å; A373-D377 VanDerWaalsContact O-N 3.07Å; A373-Y483 HydrophobicContact CB-CD2 4.47Å; A373-Y483 HydrophobicContact CB-CE1 3.83Å; A373-Y483 HydrophobicContact CB-CE2 3.74Å; A373-Y483 WeakPolarHBondContact CB-OH 3.48Å
374L88.9Confident78.5Confident1 Ų118.8 Ų18.81%0.00511%0.109CC..Hα-helixtrans-67-37.5175.6-57.6-169.8000111.7I370 H371 A376 F384 L400 W403 L479I370-L374 HydrophobicContact CG1-CG 4.49Å; I370-L374 WeakPolarHBondContact O-CG 3.32Å; I370-L374 PolarHBondContact O-N 3.17Å; H371-L374 PolarHBondContact O-N 3.45Å; L374-A376 PolarHBondContact O-N 2.99Å; L374-F384 HydrophobicContact CD2-CD1 4.01Å; L374-F384 HydrophobicContact CD2-CE1 3.92Å; L374-L400 HydrophobicContact CB-CD1 4.45Å; L374-L400 HydrophobicContact CD2-CD1 3.77Å; L374-L400 HydrophobicContact CG-CD1 4.47Å; L374-W403 HydrophobicContact CB-CD2 3.9Å; L374-W403 HydrophobicContact CB-CE3 3.73Å; L374-W403 HydrophobicContact CB-CH2 3.79Å; L374-W403 HydrophobicContact CB-CZ2 3.91Å; L374-W403 HydrophobicContact CB-CZ3 3.7Å; L374-W403 HydrophobicContact CD1-CD2 4.06Å; L374-W403 HydrophobicContact CD1-CG 4.11Å; L374-W403 WeakPolarHBondContact O-CZ3 3.31Å; L374-L479 HydrophobicContact CD1-CD1 3.91Å; L374-L479 HydrophobicContact CD2-CD1 4.22Å
375C84.6Confident80.4Confident3 Ų320.9 Ų20.92%0.0212%0.116CC..Hα-helixtrans-55.8-41.8171.9-82.30000110.7H371 L372 Y379 W403 L530H371-C375 PolarHBondContact O-N 3.01Å; H371-C375 PolarHBondContact O-SG 3.32Å; L372-C375 WeakPolarHBondContact O-CB 3.34Å; L372-C375 PolarHBondContact O-N 3.11Å; C375-Y379 WeakPolarHBondContact O-CD2 3.32Å; C375-Y379 WeakPolarHBondContact O-CE2 3.3Å; C375-W403 VanDerWaalsContact CA-CH2 3.47Å; C375-W403 HydrophobicContact CB-CH2 4Å; C375-W403 VanDerWaalsContact N-CZ3 3.34Å; C375-W403 WeakPolarHBondContact SG-CH2 3.41Å; C375-L530 HydrophobicContact CB-CD1 4.19Å; C375-L530 HydrophobicContact CB-CD2 3.79Å
376A88.2Confident82.2Confident0 Ų019.9 Ų19.90%011%0.114CC..Hα-helixtrans-85.9-18.5-171.500000114.6L31 P32 V33 L372 A373 L374 S378 Y379 A380 L530L31-A376 HydrophobicContact CB-CB 4.4Å; L31-A376 HydrophobicContact CD2-CB 4.26Å; P32-A376 HydrophobicContact CG-CB 3.63Å; V33-A376 HydrophobicContact CB-CB 4.21Å; L372-A376 WeakPolarHBondContact O-CB 3.38Å; L372-A376 PolarHBondContact O-N 3.47Å; A373-A376 PolarHBondContact O-N 3.16Å; L374-A376 PolarHBondContact O-N 2.99Å; A376-S378 PolarHBondContact O-N 3.01Å; A376-Y379 CarbonylContact O-C 3.59Å; A376-Y379 PolarHBondContact O-N 3.19Å; A376-Y379 VanDerWaalsContact O-N 3.12Å; A376-A380 WeakPolarHBondContact O-CB 3.43Å; A376-A380 PolarHBondContact O-N 3.07Å; A376-L530 HydrophobicContact CB-CD1 3.92Å
377D90.9Very high84.1Confident0 Ų016.1 Ų16.10%09%0.087CC..Hα-helixtrans-58.9-46.5-170.6-170.354.2000112.8V33 A373 Y379 A380 G381 N382 P383 F384 R385V33-D377 HydrophobicContact CG2-CB 4.25Å; A373-D377 PolarHBondContact O-N 2.93Å; A373-D377 VanDerWaalsContact O-N 3.07Å; D377-Y379 VanDerWaalsContact C-N 3.32Å; D377-Y379 PolarHBondContact O-N 3.5Å; D377-A380 PolarHBondContact O-N 3.36Å; D377-A380 VanDerWaalsContact O-N 3.17Å; D377-G381 PolarHBondContact O-N 2.85Å; D377-N382 WeakPolarHBondContact O-CA 3.41Å; D377-N382 PolarHBondContact O-N 3.47Å; D377-P383 WeakPolarHBondContact OD1-CD 3.36Å; D377-P383 WeakPolarHBondContact OD1-CG 3.41Å; D377-F384 WeakPolarHBondContact OD1-CA 3.29Å; D377-F384 WeakPolarHBondContact OD1-CB 3.4Å; D377-F384 PolarHBondContact OD1-N 2.98Å; D377-R385 PolarHBondContact OD2-N 3.03Å
378S85.7Confident85.8Confident45 Ų4514.6 Ų14.632%0.3158%0.079SC..THydrogen-bonded Turntrans-62.8-38.3177.257.10000112.4A376 A380 G381 N382A376-S378 PolarHBondContact O-N 3.01Å; S378-A380 VanDerWaalsContact C-N 3.31Å; S378-A380 PolarHBondContact O-N 3.03Å; S378-G381 PolarHBondContact O-N 3.31Å; S378-N382 WeakPolarHBondContact CA-OD1 3.49Å
379Y85.8Confident87.1Confident37 Ų3718.1 Ų18.115%0.1459%0.089CC..THydrogen-bonded Turntrans-75.9-19.5178-54-67.7000113.3T79 C375 A376 D377 L530 Q534 A537T79-Y379 WeakPolarHBondContact CB-O 3.37Å; T79-Y379 WeakPolarHBondContact CG2-O 3.49Å; C375-Y379 WeakPolarHBondContact O-CD2 3.32Å; C375-Y379 WeakPolarHBondContact O-CE2 3.3Å; A376-Y379 CarbonylContact O-C 3.59Å; A376-Y379 PolarHBondContact O-N 3.19Å; A376-Y379 VanDerWaalsContact O-N 3.12Å; D377-Y379 VanDerWaalsContact C-N 3.32Å; D377-Y379 PolarHBondContact O-N 3.5Å; Y379-L530 HydrophobicContact CD2-CD1 4.19Å; Y379-Q534 HydrophobicContact CD2-CG 4.05Å; Y379-Q534 HydrophobicContact CE1-CG 4.33Å; Y379-Q534 HydrophobicContact CE2-CG 3.47Å; Y379-Q534 VanDerWaalsContact CE2-CG 3.47Å; Y379-A537 HydrophobicContact CD1-CB 3.76Å; Y379-A537 HydrophobicContact CE1-CB 3.4Å
380A87.8Confident87.9Confident0 Ų023.1 Ų23.10%011%0.111CC..THydrogen-bonded Turntrans-90.75.817700000113.6F28 L31 V33 F34 T79 A376 D377 S378 P383F28-A380 HydrophobicContact CE2-CB 4.33Å; L31-A380 HydrophobicContact CD1-CB 3.74Å; V33-A380 HydrophobicContact CG1-CB 3.46Å; V33-A380 VanDerWaalsContact CG1-CB 3.46Å; F34-A380 HydrophobicContact CE2-CB 4.25Å; F34-A380 HydrophobicContact CZ-CB 4.04Å; T79-A380 VanDerWaalsContact CG2-C 3.46Å; A376-A380 WeakPolarHBondContact O-CB 3.43Å; A376-A380 PolarHBondContact O-N 3.07Å; D377-A380 PolarHBondContact O-N 3.36Å; D377-A380 VanDerWaalsContact O-N 3.17Å; S378-A380 VanDerWaalsContact C-N 3.31Å; S378-A380 PolarHBondContact O-N 3.03Å; A380-P383 HydrophobicContact CB-CG 3.92Å; A380-P383 WeakPolarHBondContact O-CD 3.48Å
381G85.4Confident88.2Confident4 Ų425.6 Ų25.64%0.04113%0.125CC..THydrogen-bonded Turntrans8324.6-178.700000113.4D377 S378D377-G381 PolarHBondContact O-N 2.85Å; S378-G381 PolarHBondContact O-N 3.31Å
382N90.1Very high88.4Confident50 Ų5031.9 Ų31.927%0.26716%0.158SC..SBendtrans64.741.5175-60.7-55.7000116.6D377 S378 F384 R385 D386D377-N382 WeakPolarHBondContact O-CA 3.41Å; D377-N382 PolarHBondContact O-N 3.47Å; S378-N382 WeakPolarHBondContact CA-OD1 3.49Å; N382-F384 PolarHBondContact O-N 3.39Å; N382-R385 HydrophobicContact CB-CB 3.98Å; N382-R385 PolarHBondContact O-N 3.36Å; N382-D386 WeakPolarHBondContact O-CB 3.48Å; N382-D386 PolarHBondContact O-N 3.24Å
383P91.1Very high88.7Confident3 Ų333 Ų332%0.01916%0.164CC..Hα-helixtrans-62.5-38.6-178.526.8-35.8000113.9V33 F34 F75 D377 A380 H387 F486V33-P383 HydrophobicContact CG1-CG 3.87Å; V33-P383 HydrophobicContact CG2-CG 4.01Å; F34-P383 HydrophobicContact CE1-CB 4.08Å; F34-P383 HydrophobicContact CE1-CG 3.85Å; F34-P383 HydrophobicContact CZ-CG 4.23Å; F75-P383 HydrophobicContact CD1-CB 4.09Å; F75-P383 HydrophobicContact CD2-CB 4.39Å; F75-P383 HydrophobicContact CE1-CB 3.94Å; F75-P383 HydrophobicContact CE2-CB 4.23Å; F75-P383 HydrophobicContact CG-CB 4.32Å; F75-P383 HydrophobicContact CZ-CB 4.01Å; D377-P383 WeakPolarHBondContact OD1-CD 3.36Å; D377-P383 WeakPolarHBondContact OD1-CG 3.41Å; A380-P383 HydrophobicContact CB-CG 3.92Å; A380-P383 WeakPolarHBondContact O-CD 3.48Å; P383-H387 PolarHBondContact O-N 2.73Å; P383-H387 VanDerWaalsContact O-N 3.16Å; P383-F486 HydrophobicContact CB-CZ 4.21Å
384F92.6Very high88.5Confident1 Ų140.9 Ų40.90%0.00420%0.198CC..Hα-helixtrans-73.7-42.1177.9179.8-124.4000111V33 L374 D377 N382 D386 H387 L388 L400 L479 W482 Y483 F486V33-F384 HydrophobicContact CG2-CB 4.17Å; L374-F384 HydrophobicContact CD2-CD1 4.01Å; L374-F384 HydrophobicContact CD2-CE1 3.92Å; D377-F384 WeakPolarHBondContact OD1-CA 3.29Å; D377-F384 WeakPolarHBondContact OD1-CB 3.4Å; D377-F384 PolarHBondContact OD1-N 2.98Å; N382-F384 PolarHBondContact O-N 3.39Å; F384-D386 VanDerWaalsContact C-N 3.32Å; F384-D386 PolarHBondContact O-N 3.25Å; F384-H387 WeakPolarHBondContact O-CB 3.38Å; F384-H387 PolarHBondContact O-N 3.35Å; F384-L388 HydrophobicContact CD1-CD1 4.29Å; F384-L388 HydrophobicContact CE1-CD1 3.87Å; F384-L388 HydrophobicContact CE1-CG 4.4Å; F384-L388 HydrophobicContact CE2-CD2 4.17Å; F384-L388 HydrophobicContact CE2-CG 4.22Å; F384-L388 HydrophobicContact CZ-CD1 4.02Å; F384-L388 HydrophobicContact CZ-CD2 4.04Å; F384-L388 HydrophobicContact CZ-CG 4.13Å; F384-L388 WeakPolarHBondContact O-CG 3.17Å; F384-L388 PolarHBondContact O-N 3.2Å; F384-L400 HydrophobicContact CD1-CD1 4.48Å; F384-L400 HydrophobicContact CD1-CD2 4.01Å; F384-L400 HydrophobicContact CE1-CD2 4.5Å; F384-L479 HydrophobicContact CE1-CB 4.48Å; F384-W482 HydrophobicContact CE2-CB 4.32Å; F384-W482 HydrophobicContact CZ-CB 4.14Å; F384-Y483 AromaticContact CD2-CD2 3.9Å; F384-Y483 HydrophobicContact CD2-CD2 3.9Å; F384-Y483 VanDerWaalsContact CE2-CA 3.44Å; F384-Y483 HydrophobicContact CE2-CD2 4.05Å; F384-Y483 HydrophobicContact CG-CD2 4.18Å; F384-Y483 HydrophobicContact CZ-CD2 4.43Å; F384-F486 HydrophobicContact CD2-CB 3.93Å; F384-F486 HydrophobicContact CD2-CD1 4.18Å; F384-F486 AromaticContact CD2-CG 3.95Å; F384-F486 HydrophobicContact CD2-CG 3.95Å; F384-F486 HydrophobicContact CE2-CB 4.15Å
385R90.8Very high88.4Confident47 Ų4743 Ų4318%0.17721%0.211CC..Hα-helixtrans-59.1-41.4173-165.8178.3-171.9-97.1-7.3112.5D377 N382 H387 L388 K389 I397 L400 D401D377-R385 PolarHBondContact OD2-N 3.03Å; N382-R385 HydrophobicContact CB-CB 3.98Å; N382-R385 PolarHBondContact O-N 3.36Å; R385-H387 VanDerWaalsContact C-N 3.32Å; R385-H387 PolarHBondContact O-N 3.09Å; R385-L388 PolarHBondContact O-N 2.76Å; R385-K389 WeakPolarHBondContact O-CG 3.32Å; R385-K389 PolarHBondContact O-N 3.45Å; R385-I397 HydrophobicContact CG-CG2 4.4Å; R385-L400 HydrophobicContact CB-CD2 3.76Å; R385-L400 HydrophobicContact CG-CD2 4.09Å; R385-D401 IonicContact CZ-OD1 3.68Å; R385-D401 IonicContact CZ-OD2 3.71Å; R385-D401 IonicContact NE-OD1 2.74Å; R385-D401 PolarHBondContact NE-OD1 2.94Å; R385-D401 IonicContact NE-OD2 2.98Å; R385-D401 IonicContact NH2-OD1 2.74Å; R385-D401 IonicContact NH2-OD2 2.85Å; R385-D401 PolarHBondContact NH2-OD2 3.29Å
386D90.6Very high88.5Confident44 Ų4444.8 Ų44.824%0.23522%0.219CC..Hα-helixtrans-65.7-34.6177.1-80.4-5.2000111.6F75 K78 N382 F384 K389 K390F75-D386 HydrophobicContact CE1-CB 4.34Å; F75-D386 WeakPolarHBondContact CE1-OD2 3.44Å; K78-D386 IonicContact NZ-OD2 3.11Å; K78-D386 PolarHBondContact NZ-OD2 3.39Å; K78-D386 VanDerWaalsContact NZ-OD2 3.14Å; N382-D386 WeakPolarHBondContact O-CB 3.48Å; N382-D386 PolarHBondContact O-N 3.24Å; F384-D386 VanDerWaalsContact C-N 3.32Å; F384-D386 PolarHBondContact O-N 3.25Å; D386-K389 WeakPolarHBondContact O-CB 3.47Å; D386-K389 PolarHBondContact O-N 3.49Å; D386-K389 IonicContact OD1-NZ 2.63Å; D386-K390 PolarHBondContact O-N 3.11Å
387H90.4Very high88.4Confident11 Ų1145.8 Ų45.85%0.05122%0.224CC..Hα-helixtrans-65.5-43.7170.6175.887.3000112.2P383 F384 R385 K389 K390 L391 F486 E489P383-H387 PolarHBondContact O-N 2.73Å; P383-H387 VanDerWaalsContact O-N 3.16Å; F384-H387 WeakPolarHBondContact O-CB 3.38Å; F384-H387 PolarHBondContact O-N 3.35Å; R385-H387 VanDerWaalsContact C-N 3.32Å; R385-H387 PolarHBondContact O-N 3.09Å; H387-K389 VanDerWaalsContact C-N 3.29Å; H387-K389 PolarHBondContact O-N 2.79Å; H387-K390 WeakPolarHBondContact O-CB 3.33Å; H387-K390 PolarHBondContact O-N 2.91Å; H387-K390 VanDerWaalsContact O-N 3.15Å; H387-L391 WeakPolarHBondContact NE2-CD1 3.32Å; H387-L391 PolarHBondContact O-N 3.16Å; H387-L391 VanDerWaalsContact O-N 3.1Å; H387-F486 HydrophobicContact CB-CD2 3.66Å; H387-F486 HydrophobicContact CB-CE2 4.25Å; H387-F486 AromaticContact CG-CD2 3.71Å; H387-E489 IonicContact CE1-OE2 3.12Å; H387-E489 PolarHBondContact CE1-OE2 3.11Å; H387-E489 IonicContact ND1-OE2 2.72Å; H387-E489 PolarHBondContact ND1-OE2 3.38Å
388L89.6Confident88.2Confident0 Ų048.7 Ų48.70%024%0.238CC..Hα-helixtrans-62.1-36.8174.3-65.4176.1000112.3F384 R385 L391 N392 L393 E396 I397 L400 W482F384-L388 HydrophobicContact CD1-CD1 4.29Å; F384-L388 HydrophobicContact CE1-CD1 3.87Å; F384-L388 HydrophobicContact CE1-CG 4.4Å; F384-L388 HydrophobicContact CE2-CD2 4.17Å; F384-L388 HydrophobicContact CE2-CG 4.22Å; F384-L388 HydrophobicContact CZ-CD1 4.02Å; F384-L388 HydrophobicContact CZ-CD2 4.04Å; F384-L388 HydrophobicContact CZ-CG 4.13Å; F384-L388 WeakPolarHBondContact O-CG 3.17Å; F384-L388 PolarHBondContact O-N 3.2Å; R385-L388 PolarHBondContact O-N 2.76Å; L388-L391 CarbonylContact O-C 3.59Å; L388-L391 PolarHBondContact O-N 3.14Å; L388-N392 PolarHBondContact O-N 2.92Å; L388-N392 VanDerWaalsContact O-N 3.15Å; L388-L393 HydrophobicContact CD2-CD1 3.84Å; L388-L393 PolarHBondContact O-N 2.95Å; L388-E396 HydrophobicContact CD1-CB 4.12Å; L388-E396 HydrophobicContact CD2-CB 4.15Å; L388-I397 HydrophobicContact CB-CD1 4.34Å; L388-I397 HydrophobicContact CB-CG1 3.75Å; L388-I397 HydrophobicContact CD1-CG1 4.39Å; L388-L400 HydrophobicContact CD1-CD2 4.16Å; L388-W482 HydrophobicContact CD2-CB 3.92Å; L388-W482 HydrophobicContact CD2-CG 4.28Å
389K90.1Very high88.2Confident90 Ų9046.7 Ų46.739%0.39122%0.223SC..Hα-helixtrans-63.6-43.4172.7-74.8176.9-179.7176.40111.9R385 D386 H387 L391 N392 I397R385-K389 WeakPolarHBondContact O-CG 3.32Å; R385-K389 PolarHBondContact O-N 3.45Å; D386-K389 WeakPolarHBondContact O-CB 3.47Å; D386-K389 PolarHBondContact O-N 3.49Å; D386-K389 IonicContact OD1-NZ 2.63Å; H387-K389 VanDerWaalsContact C-N 3.29Å; H387-K389 PolarHBondContact O-N 2.79Å; K389-L391 PolarHBondContact O-N 3.5Å; K389-N392 PolarHBondContact O-N 3.44Å; K389-I397 HydrophobicContact CB-CD1 4.41Å; K389-I397 HydrophobicContact CG-CD1 3.65Å
390K89.9Confident88.3Confident132 Ų13244.9 Ų44.957%0.57422%0.216SC*.Hα-helixtrans-57.8-36175.5-178.2-174171.3-173.70111.8D386 H387 N392 E489D386-K390 PolarHBondContact O-N 3.11Å; H387-K390 WeakPolarHBondContact O-CB 3.33Å; H387-K390 PolarHBondContact O-N 2.91Å; H387-K390 VanDerWaalsContact O-N 3.15Å; K390-N392 VanDerWaalsContact C-N 3.32Å; K390-E489 IonicContact NZ-OE1 2.68Å; K390-E489 PolarHBondContact NZ-OE1 3.46Å; K390-E489 IonicContact NZ-OE2 3.11Å
391L88.7Confident88.3Confident62 Ų6246.2 Ų46.233%0.32522%0.223SC..THydrogen-bonded Turntrans-83.5-1.3175.8-63.1178.6000114.1H387 L388 K389 L393 W482H387-L391 WeakPolarHBondContact NE2-CD1 3.32Å; H387-L391 PolarHBondContact O-N 3.16Å; H387-L391 VanDerWaalsContact O-N 3.1Å; L388-L391 CarbonylContact O-C 3.59Å; L388-L391 PolarHBondContact O-N 3.14Å; K389-L391 PolarHBondContact O-N 3.5Å; L391-L393 VanDerWaalsContact C-N 3.3Å; L391-L393 HydrophobicContact CB-CD1 3.84Å; L391-L393 HydrophobicContact CB-CG 3.84Å; L391-L393 HydrophobicContact CD1-CD1 4.01Å; L391-L393 PolarHBondContact O-N 2.92Å; L391-W482 HydrophobicContact CD1-CE3 4.04Å; L391-W482 HydrophobicContact CD1-CZ3 4.11Å
392N86.8Confident88.4Confident132 Ų13246 Ų4671%0.70622%0.221SC*.THydrogen-bonded Turntrans58.531.9-176.5-69.3-55.9000115L388 K389 K390 K394L388-N392 PolarHBondContact O-N 2.92Å; L388-N392 VanDerWaalsContact O-N 3.15Å; K389-N392 PolarHBondContact O-N 3.44Å; K390-N392 VanDerWaalsContact C-N 3.32Å; N392-K394 PolarHBondContact O-N 3.36Å
393L87Confident88.3Confident29 Ų2943.7 Ų43.715%0.15221%0.209CC..  trans-87.480.7-176.7-66.9175.3000112.4L388 L391 V395 E396 I397 W482L388-L393 HydrophobicContact CD2-CD1 3.84Å; L388-L393 PolarHBondContact O-N 2.95Å; L391-L393 VanDerWaalsContact C-N 3.3Å; L391-L393 HydrophobicContact CB-CD1 3.84Å; L391-L393 HydrophobicContact CB-CG 3.84Å; L391-L393 HydrophobicContact CD1-CD1 4.01Å; L391-L393 PolarHBondContact O-N 2.92Å; L393-V395 PolarHBondContact O-N 3.49Å; L393-E396 HydrophobicContact CB-CB 4.05Å; L393-E396 HydrophobicContact CB-CG 4.26Å; L393-E396 WeakPolarHBondContact CB-OE2 3.38Å; L393-E396 HydrophobicContact CD1-CG 4.44Å; L393-I397 WeakPolarHBondContact O-CD1 3.37Å; L393-I397 VanDerWaalsContact O-CG1 3.24Å; L393-I397 WeakPolarHBondContact O-CG1 3.45Å; L393-I397 PolarHBondContact O-N 3.25Å; L393-W482 HydrophobicContact CD1-CD2 3.54Å; L393-W482 HydrophobicContact CD1-CE3 3.52Å; L393-W482 HydrophobicContact CD1-CG 4.24Å; L393-W482 HydrophobicContact CD1-CH2 3.7Å; L393-W482 HydrophobicContact CD1-CZ2 3.71Å; L393-W482 HydrophobicContact CD1-CZ3 3.61Å; L393-W482 HydrophobicContact CD2-CH2 3.94Å; L393-W482 HydrophobicContact CD2-CZ2 3.87Å; L393-W482 HydrophobicContact CG-CH2 4.45Å; L393-W482 HydrophobicContact CG-CZ2 4.47Å
394K84.6Confident88.1Confident168 Ų16845.1 Ų45.173%0.7322%0.215SC*.Hα-helixtrans-64.8-34.9-174.2-66-173.8178.9-176.60114.3N392 Q398N392-K394 PolarHBondContact O-N 3.36Å; K394-Q398 WeakPolarHBondContact O-CG 3.26Å; K394-Q398 PolarHBondContact O-N 3.3Å
395V85.1Confident87.7Confident46 Ų4646.5 Ų46.528%0.27922%0.223SC..Hα-helixtrans-73.9-41.8-177.3177.70000110.6L393 I397 Q398 L399 P446L393-V395 PolarHBondContact O-N 3.49Å; V395-I397 VanDerWaalsContact C-N 3.34Å; V395-I397 PolarHBondContact O-N 3Å; V395-Q398 WeakPolarHBondContact O-CB 3.43Å; V395-Q398 PolarHBondContact O-N 2.81Å; V395-L399 HydrophobicContact CG1-CD1 4.38Å; V395-L399 WeakPolarHBondContact O-CG 3.16Å; V395-L399 PolarHBondContact O-N 2.91Å; V395-P446 HydrophobicContact CG1-CG 4.11Å
396E87.8Confident87.4Confident40 Ų4044.3 Ų44.319%0.18721%0.214CC..Hα-helixtrans-64.6-38.2177.7-69.971-167.600111.7L388 L393 L399 L400 L479 W482L388-E396 HydrophobicContact CD1-CB 4.12Å; L388-E396 HydrophobicContact CD2-CB 4.15Å; L393-E396 HydrophobicContact CB-CB 4.05Å; L393-E396 HydrophobicContact CB-CG 4.26Å; L393-E396 WeakPolarHBondContact CB-OE2 3.38Å; L393-E396 HydrophobicContact CD1-CG 4.44Å; E396-L399 PolarHBondContact O-N 2.93Å; E396-L400 WeakPolarHBondContact O-CB 3.35Å; E396-L400 PolarHBondContact O-N 2.83Å; E396-L479 HydrophobicContact CB-CD2 3.78Å; E396-L479 HydrophobicContact CG-CD2 4.07Å; E396-W482 PolarHBondContact OE1-NE1 3.13Å
397I86.7Confident86.9Confident21 Ų2143.6 Ų43.611%0.10821%0.21CC..Hα-helixtrans-62-46.1172.2-66.4163000110.3R385 L388 K389 L393 V395 L399 L400 D401R385-I397 HydrophobicContact CG-CG2 4.4Å; L388-I397 HydrophobicContact CB-CD1 4.34Å; L388-I397 HydrophobicContact CB-CG1 3.75Å; L388-I397 HydrophobicContact CD1-CG1 4.39Å; K389-I397 HydrophobicContact CB-CD1 4.41Å; K389-I397 HydrophobicContact CG-CD1 3.65Å; L393-I397 WeakPolarHBondContact O-CD1 3.37Å; L393-I397 VanDerWaalsContact O-CG1 3.24Å; L393-I397 WeakPolarHBondContact O-CG1 3.45Å; L393-I397 PolarHBondContact O-N 3.25Å; V395-I397 VanDerWaalsContact C-N 3.34Å; V395-I397 PolarHBondContact O-N 3Å; I397-L399 VanDerWaalsContact C-N 3.29Å; I397-L399 PolarHBondContact O-N 3.36Å; I397-L400 WeakPolarHBondContact O-CB 3.24Å; I397-L400 PolarHBondContact O-N 3.44Å; I397-D401 WeakPolarHBondContact O-CB 3.48Å; I397-D401 PolarHBondContact O-N 3.26Å
398Q84.9Confident86.4Confident61 Ų6146.7 Ų46.729%0.28522%0.224SC..Hα-helixtrans-62.8-35.3176.3-73.3-179.6-2500112.7K394 V395 L402 L445K394-Q398 WeakPolarHBondContact O-CG 3.26Å; K394-Q398 PolarHBondContact O-N 3.3Å; V395-Q398 WeakPolarHBondContact O-CB 3.43Å; V395-Q398 PolarHBondContact O-N 2.81Å; Q398-L402 VanDerWaalsContact O-CB 3.29Å; Q398-L402 WeakPolarHBondContact O-CB 3.42Å; Q398-L402 PolarHBondContact O-N 2.97Å; Q398-L445 HydrophobicContact CB-CD2 4.1Å
399L87.5Confident85.9Confident2 Ų246.7 Ų46.71%0.0122%0.224CC..Hα-helixtrans-67.4-39.9174.1-72.1170.6000112.1V395 E396 I397 W403 L445 P446 L447 I475 M478V395-L399 HydrophobicContact CG1-CD1 4.38Å; V395-L399 WeakPolarHBondContact O-CG 3.16Å; V395-L399 PolarHBondContact O-N 2.91Å; E396-L399 PolarHBondContact O-N 2.93Å; I397-L399 VanDerWaalsContact C-N 3.29Å; I397-L399 PolarHBondContact O-N 3.36Å; L399-W403 WeakPolarHBondContact O-CB 3.38Å; L399-W403 PolarHBondContact O-N 2.91Å; L399-L445 HydrophobicContact CD2-CB 4.35Å; L399-L445 HydrophobicContact CD2-CD2 3.97Å; L399-L445 HydrophobicContact CG-CD2 4.24Å; L399-P446 HydrophobicContact CD1-CG 3.89Å; L399-L447 HydrophobicContact CD2-CD1 4.46Å; L399-L447 HydrophobicContact CD2-CD2 4.15Å; L399-L447 HydrophobicContact CD2-CG 4.18Å; L399-I475 HydrophobicContact CB-CG2 4.12Å; L399-I475 HydrophobicContact CD2-CG1 4.13Å; L399-M478 HydrophobicContact CD1-CB 4.34Å
400L87.4Confident85.2Confident0 Ų042.8 Ų42.80%021%0.207CC..Hα-helixtrans-64.9-47.4175.718060.1000111.2L374 F384 R385 L388 E396 I397 W403 Q404 L479L374-L400 HydrophobicContact CB-CD1 4.45Å; L374-L400 HydrophobicContact CD2-CD1 3.77Å; L374-L400 HydrophobicContact CG-CD1 4.47Å; F384-L400 HydrophobicContact CD1-CD1 4.48Å; F384-L400 HydrophobicContact CD1-CD2 4.01Å; F384-L400 HydrophobicContact CE1-CD2 4.5Å; R385-L400 HydrophobicContact CB-CD2 3.76Å; R385-L400 HydrophobicContact CG-CD2 4.09Å; L388-L400 HydrophobicContact CD1-CD2 4.16Å; E396-L400 WeakPolarHBondContact O-CB 3.35Å; E396-L400 PolarHBondContact O-N 2.83Å; I397-L400 WeakPolarHBondContact O-CB 3.24Å; I397-L400 PolarHBondContact O-N 3.44Å; L400-W403 WeakPolarHBondContact O-CB 3.41Å; L400-W403 PolarHBondContact O-N 3.08Å; L400-W403 VanDerWaalsContact O-N 3.14Å; L400-Q404 WeakPolarHBondContact O-CG 3.29Å; L400-Q404 PolarHBondContact O-N 3.32Å; L400-L479 HydrophobicContact CB-CD1 4.15Å; L400-L479 HydrophobicContact CD1-CD1 4.27Å
401D86.8Confident84.4Confident28 Ų2837.9 Ų37.915%0.1519%0.189CC..Hα-helixtrans-62.8-44.2179-64.6-12.4000110.2R385 I397 W403 Q404 D405 Y436R385-D401 IonicContact CZ-OD1 3.68Å; R385-D401 IonicContact CZ-OD2 3.71Å; R385-D401 IonicContact NE-OD1 2.74Å; R385-D401 PolarHBondContact NE-OD1 2.94Å; R385-D401 IonicContact NE-OD2 2.98Å; R385-D401 IonicContact NH2-OD1 2.74Å; R385-D401 IonicContact NH2-OD2 2.85Å; R385-D401 PolarHBondContact NH2-OD2 3.29Å; I397-D401 WeakPolarHBondContact O-CB 3.48Å; I397-D401 PolarHBondContact O-N 3.26Å; D401-W403 VanDerWaalsContact C-N 3.33Å; D401-W403 PolarHBondContact O-N 3.47Å; D401-Q404 PolarHBondContact O-N 3.14Å; D401-D405 PolarHBondContact O-N 3.17Å; D401-Y436 HydrophobicContact CB-CE1 3.94Å; D401-Y436 WeakPolarHBondContact CB-OH 3.31Å
402L87.8Confident83.6Confident0 Ų035.8 Ų35.80%018%0.179CC..Hα-helixtrans-57.8-44.7172.1173.161.7000111.7Q398 Q404 D405 L406 I432 Y436 L445 L447 I475Q398-L402 VanDerWaalsContact O-CB 3.29Å; Q398-L402 WeakPolarHBondContact O-CB 3.42Å; Q398-L402 PolarHBondContact O-N 2.97Å; L402-Q404 VanDerWaalsContact C-N 3.32Å; L402-Q404 PolarHBondContact O-N 2.9Å; L402-D405 PolarHBondContact O-N 3.37Å; L402-L406 HydrophobicContact CD1-CD1 3.98Å; L402-L406 HydrophobicContact CD1-CD2 4.27Å; L402-L406 HydrophobicContact CD1-CG 3.89Å; L402-L406 HydrophobicContact CG-CD1 4.02Å; L402-L406 HydrophobicContact CG-CG 4.33Å; L402-L406 WeakPolarHBondContact O-CB 3.11Å; L402-L406 WeakPolarHBondContact O-CG 3.46Å; L402-L406 PolarHBondContact O-N 3.14Å; L402-I432 HydrophobicContact CD1-CG2 3.76Å; L402-Y436 HydrophobicContact CB-CD1 3.92Å; L402-Y436 HydrophobicContact CB-CD2 4.35Å; L402-Y436 HydrophobicContact CB-CE1 4.29Å; L402-Y436 HydrophobicContact CB-CG 3.95Å; L402-Y436 HydrophobicContact CD1-CD2 3.85Å; L402-Y436 HydrophobicContact CD1-CG 3.88Å; L402-Y436 HydrophobicContact CG-CG 4.41Å; L402-L445 HydrophobicContact CD2-CD1 3.61Å; L402-L447 HydrophobicContact CD2-CD1 3.89Å; L402-I475 HydrophobicContact CD2-CD1 4.05Å; L402-I475 HydrophobicContact CG-CD1 4.16Å
403W89Confident82.8Confident1 Ų130 Ų300%0.00415%0.148CC..Hα-helixtrans-61.9-41.5-179.7-174.9101.5000111.9H371 L374 C375 L399 L400 D401 H407 I475H371-W403 AromaticContact CD2-CZ2 3.91Å; L374-W403 HydrophobicContact CB-CD2 3.9Å; L374-W403 HydrophobicContact CB-CE3 3.73Å; L374-W403 HydrophobicContact CB-CH2 3.79Å; L374-W403 HydrophobicContact CB-CZ2 3.91Å; L374-W403 HydrophobicContact CB-CZ3 3.7Å; L374-W403 HydrophobicContact CD1-CD2 4.06Å; L374-W403 HydrophobicContact CD1-CG 4.11Å; L374-W403 WeakPolarHBondContact O-CZ3 3.31Å; C375-W403 VanDerWaalsContact CA-CH2 3.47Å; C375-W403 HydrophobicContact CB-CH2 4Å; C375-W403 VanDerWaalsContact N-CZ3 3.34Å; C375-W403 WeakPolarHBondContact SG-CH2 3.41Å; L399-W403 WeakPolarHBondContact O-CB 3.38Å; L399-W403 PolarHBondContact O-N 2.91Å; L400-W403 WeakPolarHBondContact O-CB 3.41Å; L400-W403 PolarHBondContact O-N 3.08Å; L400-W403 VanDerWaalsContact O-N 3.14Å; D401-W403 VanDerWaalsContact C-N 3.33Å; D401-W403 PolarHBondContact O-N 3.47Å; W403-H407 HydrophobicContact CH2-CB 4.42Å; W403-H407 HydrophobicContact CZ3-CB 4.19Å; W403-H407 PolarHBondContact O-N 3.43Å; W403-I475 HydrophobicContact CB-CD1 4.01Å; W403-I475 HydrophobicContact CB-CG2 3.95Å; W403-I475 HydrophobicContact CG-CG2 4.25Å
404Q85.6Confident81.8Confident33 Ų3329.7 Ų29.715%0.15415%0.147CC..Hα-helixtrans-66.1-44.9178.3-71.1177.3-7.400111.4L400 D401 L402 L406 H407 H408L400-Q404 WeakPolarHBondContact O-CG 3.29Å; L400-Q404 PolarHBondContact O-N 3.32Å; D401-Q404 PolarHBondContact O-N 3.14Å; L402-Q404 VanDerWaalsContact C-N 3.32Å; L402-Q404 PolarHBondContact O-N 2.9Å; Q404-L406 PolarHBondContact O-N 3.12Å; Q404-H407 WeakPolarHBondContact O-CB 3.32Å; Q404-H407 PolarHBondContact O-N 2.88Å; Q404-H407 VanDerWaalsContact O-N 3.12Å; Q404-H408 PolarHBondContact O-N 3.42Å
405D83.8Confident80.6Confident30 Ų3024.5 Ų24.516%0.1613%0.128CC..Hα-helixtrans-64.3-39.1177.6-84.72.4000112.2D401 L402 H407 H408 F409 I432 Y436D401-D405 PolarHBondContact O-N 3.17Å; L402-D405 PolarHBondContact O-N 3.37Å; D405-H407 VanDerWaalsContact C-N 3.31Å; D405-H407 PolarHBondContact O-N 2.88Å; D405-H408 PolarHBondContact O-N 3.5Å; D405-F409 WeakPolarHBondContact O-CB 3.14Å; D405-F409 PolarHBondContact O-N 3.4Å; D405-I432 HydrophobicContact CB-CD1 4.15Å; D405-I432 HydrophobicContact CB-CG1 4.06Å; D405-Y436 HydrophobicContact CB-CE2 4.39Å; D405-Y436 WeakPolarHBondContact OD2-CE2 3.42Å; D405-Y436 PolarHBondContact OD2-OH 2.99Å
406L85.1Confident79.2Confident0 Ų025.6 Ų25.60%013%0.132CC..Hα-helixtrans-64.4-36172.9-67.9177.6000112L402 Q404 L410 I432 L455 L459 I468 A471L402-L406 HydrophobicContact CD1-CD1 3.98Å; L402-L406 HydrophobicContact CD1-CD2 4.27Å; L402-L406 HydrophobicContact CD1-CG 3.89Å; L402-L406 HydrophobicContact CG-CD1 4.02Å; L402-L406 HydrophobicContact CG-CG 4.33Å; L402-L406 WeakPolarHBondContact O-CB 3.11Å; L402-L406 WeakPolarHBondContact O-CG 3.46Å; L402-L406 PolarHBondContact O-N 3.14Å; Q404-L406 PolarHBondContact O-N 3.12Å; L406-L410 WeakPolarHBondContact O-CG 3.32Å; L406-L410 PolarHBondContact O-N 3.38Å; L406-I432 HydrophobicContact CD2-CD1 4.33Å; L406-I432 HydrophobicContact CD2-CG2 4.03Å; L406-L455 HydrophobicContact CD2-CD2 4.43Å; L406-L459 HydrophobicContact CD2-CD1 4.17Å; L406-L459 HydrophobicContact CD2-CD2 4.05Å; L406-I468 HydrophobicContact CB-CD1 4.28Å; L406-I468 HydrophobicContact CB-CG2 4.13Å; L406-I468 HydrophobicContact CD2-CD1 3.82Å; L406-I468 HydrophobicContact CD2-CG1 3.95Å; L406-A471 HydrophobicContact CD1-CB 4.1Å
407H81.2Confident77.5Confident29 Ų2930.2 Ų30.213%0.13415%0.152CC..Hα-helixtrans-70.6-41.8176.1-169.661.2000111.9W403 Q404 D405 F409 L410 S411W403-H407 HydrophobicContact CH2-CB 4.42Å; W403-H407 HydrophobicContact CZ3-CB 4.19Å; W403-H407 PolarHBondContact O-N 3.43Å; Q404-H407 WeakPolarHBondContact O-CB 3.32Å; Q404-H407 PolarHBondContact O-N 2.88Å; Q404-H407 VanDerWaalsContact O-N 3.12Å; D405-H407 VanDerWaalsContact C-N 3.31Å; D405-H407 PolarHBondContact O-N 2.88Å; H407-F409 VanDerWaalsContact C-N 3.35Å; H407-F409 PolarHBondContact O-N 3.48Å; H407-L410 WeakPolarHBondContact O-CB 3.32Å; H407-L410 PolarHBondContact O-N 2.77Å; H407-S411 PolarHBondContact O-N 2.87Å
408H78.9Confident75.5Confident76 Ų7636 Ų3635%0.35218%0.183SC..Hα-helixtrans-61.2-43.8174-178.266.8000111.4Q404 D405 L410 S411 V412Q404-H408 PolarHBondContact O-N 3.42Å; D405-H408 PolarHBondContact O-N 3.5Å; H408-L410 VanDerWaalsContact C-N 3.28Å; H408-L410 PolarHBondContact O-N 3.07Å; H408-S411 WeakPolarHBondContact O-CB 3.44Å; H408-S411 PolarHBondContact O-N 3.4Å; H408-V412 WeakPolarHBondContact O-CG2 3.4Å; H408-V412 PolarHBondContact O-N 3.18Å
409F78.8Confident73.5Confident1 Ų141.6 Ų41.60%0.00422%0.215CC..Hα-helixtrans-55.3-42.7173.8-172.5-81.7000112D405 H407 V412 L413 R425 L428 I432 L459 V464 I468D405-F409 WeakPolarHBondContact O-CB 3.14Å; D405-F409 PolarHBondContact O-N 3.4Å; H407-F409 VanDerWaalsContact C-N 3.35Å; H407-F409 PolarHBondContact O-N 3.48Å; F409-V412 PolarHBondContact O-N 3.14Å; F409-L413 HydrophobicContact CD1-CD1 3.77Å; F409-L413 HydrophobicContact CD1-CG 4.17Å; F409-L413 HydrophobicContact CE1-CD1 3.48Å; F409-L413 VanDerWaalsContact CE1-CD1 3.48Å; F409-L413 HydrophobicContact CE1-CD2 4.34Å; F409-L413 HydrophobicContact CE1-CG 3.91Å; F409-L413 WeakPolarHBondContact O-CG 3.46Å; F409-L413 PolarHBondContact O-N 3.05Å; F409-L413 VanDerWaalsContact O-N 3.11Å; F409-R425 WeakPolarHBondContact CE2-O 3.09Å; F409-L428 HydrophobicContact CB-CD2 4Å; F409-L428 HydrophobicContact CD2-CB 4.08Å; F409-L428 HydrophobicContact CD2-CD2 3.62Å; F409-L428 HydrophobicContact CD2-CG 3.78Å; F409-L428 HydrophobicContact CE2-CB 4.35Å; F409-L428 HydrophobicContact CG-CD2 4.2Å; F409-I432 HydrophobicContact CB-CD1 4.16Å; F409-I432 HydrophobicContact CD2-CD1 4.12Å; F409-I432 HydrophobicContact CG-CD1 4.44Å; F409-L459 HydrophobicContact CD1-CD2 4.4Å; F409-L459 HydrophobicContact CE1-CD2 4.32Å; F409-L459 HydrophobicContact CZ-CD2 4.42Å; F409-L459 WeakPolarHBondContact CZ-O 3.16Å; F409-V464 HydrophobicContact CD1-CG1 4.48Å; F409-V464 HydrophobicContact CD1-CG2 4.35Å; F409-V464 HydrophobicContact CE1-CG1 4.34Å; F409-V464 HydrophobicContact CE1-CG2 3.46Å; F409-V464 VanDerWaalsContact CE1-CG2 3.46Å; F409-V464 HydrophobicContact CZ-CG2 4.17Å; F409-I468 HydrophobicContact CD1-CD1 4.02Å
410L76.3Confident71.6Confident8 Ų844 Ų444%0.04224%0.24CC..Hα-helixtrans-65.8-38174.3-71.5175.1000113I357 I361 L406 H407 H408 L413 V414 V464 I468I357-L410 HydrophobicContact CG2-CD2 4.38Å; I361-L410 HydrophobicContact CD1-CB 4.3Å; I361-L410 HydrophobicContact CG1-CD1 4.17Å; L406-L410 WeakPolarHBondContact O-CG 3.32Å; L406-L410 PolarHBondContact O-N 3.38Å; H407-L410 WeakPolarHBondContact O-CB 3.32Å; H407-L410 PolarHBondContact O-N 2.77Å; H408-L410 VanDerWaalsContact C-N 3.28Å; H408-L410 PolarHBondContact O-N 3.07Å; L410-L413 HydrophobicContact CD2-CD1 4.27Å; L410-L413 PolarHBondContact O-N 3.01Å; L410-V414 WeakPolarHBondContact O-CG2 3.41Å; L410-V414 PolarHBondContact O-N 2.82Å; L410-V464 HydrophobicContact CD2-CG1 3.95Å; L410-I468 HydrophobicContact CD1-CG2 3.62Å; L410-I468 HydrophobicContact CD2-CD1 4.3Å; L410-I468 HydrophobicContact CD2-CG2 4.46Å; L410-I468 HydrophobicContact CG-CD1 4.25Å; L410-I468 HydrophobicContact CG-CG2 4.09Å
411S72.3Confident70.1Confident28 Ų2846.3 Ų46.320%0.19625%0.252CS..Hα-helixtrans-61-47.2175.6-174.40000111H407 H408 L413 V414 N415 D538H407-S411 PolarHBondContact O-N 2.87Å; H408-S411 WeakPolarHBondContact O-CB 3.44Å; H408-S411 PolarHBondContact O-N 3.4Å; S411-L413 VanDerWaalsContact C-N 3.28Å; S411-L413 PolarHBondContact O-N 3.33Å; S411-V414 PolarHBondContact O-N 3.33Å; S411-N415 PolarHBondContact O-N 3.35Å; S411-N415 PolarHBondContact O-ND2 3.18Å; S411-N415 PolarHBondContact OG-ND2 3.07Å; S411-D538 PolarHBondContact OG-OD2 3.04Å; S411-D538 VanDerWaalsContact OG-OD2 3.09Å
412V73.1Confident68.8Low19 Ų1946.6 Ų46.612%0.11526%0.258CS..Hα-helixtrans-59.5-36.9177172.50000111.9H408 F409 V414 F424 R425 L428H408-V412 WeakPolarHBondContact O-CG2 3.4Å; H408-V412 PolarHBondContact O-N 3.18Å; F409-V412 PolarHBondContact O-N 3.14Å; V412-V414 VanDerWaalsContact C-N 3.33Å; V412-V414 PolarHBondContact O-N 3.47Å; V412-F424 HydrophobicContact CB-CE1 4.46Å; V412-F424 HydrophobicContact CG1-CD1 3.71Å; V412-F424 HydrophobicContact CG1-CE1 3.69Å; V412-F424 HydrophobicContact CG2-CE1 3.91Å; V412-R425 HydrophobicContact CG1-CG 4.29Å; V412-L428 HydrophobicContact CG2-CD2 4.41Å
413L69.3Low67.5Low10 Ų1051.1 Ų51.15%0.05228%0.282CS..Hα-helixtrans-67.9-28.5176.2-77176.5000114.1I357 F409 L410 S411 N416 R425 V464I357-L413 HydrophobicContact CD1-CB 4.25Å; I357-L413 HydrophobicContact CD1-CD1 4.39Å; F409-L413 HydrophobicContact CD1-CD1 3.77Å; F409-L413 HydrophobicContact CD1-CG 4.17Å; F409-L413 HydrophobicContact CE1-CD1 3.48Å; F409-L413 VanDerWaalsContact CE1-CD1 3.48Å; F409-L413 HydrophobicContact CE1-CD2 4.34Å; F409-L413 HydrophobicContact CE1-CG 3.91Å; F409-L413 WeakPolarHBondContact O-CG 3.46Å; F409-L413 PolarHBondContact O-N 3.05Å; F409-L413 VanDerWaalsContact O-N 3.11Å; L410-L413 HydrophobicContact CD2-CD1 4.27Å; L410-L413 PolarHBondContact O-N 3.01Å; S411-L413 VanDerWaalsContact C-N 3.28Å; S411-L413 PolarHBondContact O-N 3.33Å; L413-N416 PolarHBondContact O-ND2 2.9Å; L413-N416 PolarHBondContact O-OD1 2.82Å; L413-R425 HydrophobicContact CD2-CG 4.18Å; L413-V464 HydrophobicContact CD1-CB 4.31Å; L413-V464 HydrophobicContact CD1-CG1 4.4Å; L413-V464 HydrophobicContact CD1-CG2 4.04Å
414V65.6Low66.4Low22 Ų2255.7 Ų55.713%0.13330%0.302CS..Hα-helixtrans-86.9-31.8-176.2174.10000112.2K354 I357 Q358 I361 L410 S411 V412 N416K354-V414 VanDerWaalsContact CE-O 3.28Å; K354-V414 WeakPolarHBondContact CE-O 3.26Å; K354-V414 PolarHBondContact NZ-O 3.13Å; I357-V414 HydrophobicContact CG2-CG2 3.72Å; Q358-V414 HydrophobicContact CG-CG1 4.45Å; I361-V414 HydrophobicContact CD1-CG2 3.65Å; L410-V414 WeakPolarHBondContact O-CG2 3.41Å; L410-V414 PolarHBondContact O-N 2.82Å; S411-V414 PolarHBondContact O-N 3.33Å; V412-V414 VanDerWaalsContact C-N 3.33Å; V412-V414 PolarHBondContact O-N 3.47Å; V414-N416 PolarHBondContact O-N 2.84Å
415N60.7Low65.6Low59 Ų5955.8 Ų55.832%0.31630%0.301SS..  trans-81.831.2-171.9-70.5-21.9000114.9S411 K417S411-N415 PolarHBondContact O-N 3.35Å; S411-N415 PolarHBondContact O-ND2 3.18Å; S411-N415 PolarHBondContact OG-ND2 3.07Å; N415-K417 VanDerWaalsContact C-N 3.34Å; N415-K417 PolarHBondContact O-N 3.34Å
416N54Low64.8Low69 Ų6956.9 Ų56.937%0.36931%0.305SS..  trans-59.479.1-174-62.5-27.2000115.3L413 V414 R425L413-N416 PolarHBondContact O-ND2 2.9Å; L413-N416 PolarHBondContact O-OD1 2.82Å; V414-N416 PolarHBondContact O-N 2.84Å; N416-R425 PolarHBondContact OD1-NH2 3.5Å
417K52.2Low64.1Low138 Ų13860.9 Ų60.960%0.633%0.326SS*.  trans-117.3116.5157.1-66.2-172.5-176.4-178.30106.6N415 E541N415-K417 VanDerWaalsContact C-N 3.34Å; N415-K417 PolarHBondContact O-N 3.34Å; K417-E541 IonicContact NZ-OE2 3.67Å; K417-E541 PolarHBondContact NZ-OE2 3.47Å
418N45.1Very low63.8Low142 Ų14260.1 Ų60.176%0.75932%0.322SS*.SBendtrans97.4128.7172.4-49-18.4000117G420N418-G420 PolarHBondContact O-N 2.69Å
419N43.1Very low63.7Low179 Ų17956.5 Ų56.596%0.95731%0.306SS*.THydrogen-bonded Turntrans-69.217.7-171.9-80.3-8.2000115.7
420G47.4Very low63.4Low53 Ų5359 Ų5955%0.54632%0.319SS..THydrogen-bonded Turntrans-95.6-10.217800000115.4N418 A422N418-G420 PolarHBondContact O-N 2.69Å; G420-A422 VanDerWaalsContact C-N 3.34Å; G420-A422 PolarHBondContact O-N 2.86Å
421N56.1Low63.6Low48 Ų4865.2 Ų65.226%0.25734%0.342SS..Hα-helixtrans-82.8-2.6-165.7-68.6-8.4000115.3R425N421-R425 WeakPolarHBondContact O-CB 3.42Å; N421-R425 VanDerWaalsContact O-CD 3.3Å; N421-R425 WeakPolarHBondContact O-CD 3.18Å; N421-R425 WeakPolarHBondContact O-CG 3.47Å; N421-R425 PolarHBondContact O-N 3.38Å
422A58.7Low64Low33 Ų3363.9 Ų63.927%0.27333%0.333SS..Hα-helixtrans-62.9-50.3177.700000112.2I349 G420 R425 H426I349-A422 HydrophobicContact CD1-CB 3.27Å; G420-A422 VanDerWaalsContact C-N 3.34Å; G420-A422 PolarHBondContact O-N 2.86Å; A422-R425 PolarHBondContact O-N 2.9Å; A422-H426 PolarHBondContact O-N 3.14Å; A422-H426 VanDerWaalsContact O-N 3.11Å
423I60.6Low64.4Low96 Ų9663.9 Ų63.949%0.49233%0.333SS..Hα-helixtrans-68.4-41.4179.7-60.9171.2000109.9L342 R425 H426 L427L342-I423 HydrophobicContact CD2-CG2 4.46Å; I423-R425 PolarHBondContact O-N 3.25Å; I423-H426 PolarHBondContact O-N 2.99Å; I423-L427 HydrophobicContact CG2-CD1 3.89Å; I423-L427 HydrophobicContact CG2-CG 4.25Å; I423-L427 WeakPolarHBondContact O-CB 3.28Å; I423-L427 VanDerWaalsContact O-CG 3.32Å; I423-L427 WeakPolarHBondContact O-CG 3.08Å; I423-L427 PolarHBondContact O-N 3.16Å
424F67.2Low64.8Low96 Ų9668.2 Ų68.242%0.42135%0.353SS..Hα-helixtrans-60.9-42.1177.1-177.4-104.9000112.6V412 L427 L428V412-F424 HydrophobicContact CB-CE1 4.46Å; V412-F424 HydrophobicContact CG1-CD1 3.71Å; V412-F424 HydrophobicContact CG1-CE1 3.69Å; V412-F424 HydrophobicContact CG2-CE1 3.91Å; F424-L427 PolarHBondContact O-N 3.1Å; F424-L428 HydrophobicContact CE1-CD2 4.45Å; F424-L428 VanDerWaalsContact O-CB 3.31Å; F424-L428 WeakPolarHBondContact O-CB 3.46Å; F424-L428 PolarHBondContact O-N 3.35Å
425R67.8Low65.3Low35 Ų3571.3 Ų71.313%0.13237%0.369CS..Hα-helixtrans-63.2-43.5174.3-71.1163.5-165.3156.98.4111.8F409 V412 L413 N416 N421 A422 I423 L428 G429F409-R425 WeakPolarHBondContact CE2-O 3.09Å; V412-R425 HydrophobicContact CG1-CG 4.29Å; L413-R425 HydrophobicContact CD2-CG 4.18Å; N416-R425 PolarHBondContact OD1-NH2 3.5Å; N421-R425 WeakPolarHBondContact O-CB 3.42Å; N421-R425 VanDerWaalsContact O-CD 3.3Å; N421-R425 WeakPolarHBondContact O-CD 3.18Å; N421-R425 WeakPolarHBondContact O-CG 3.47Å; N421-R425 PolarHBondContact O-N 3.38Å; A422-R425 PolarHBondContact O-N 2.9Å; I423-R425 PolarHBondContact O-N 3.25Å; R425-L428 PolarHBondContact O-N 2.95Å; R425-G429 PolarHBondContact O-N 3.16Å
426H67.8Low66.1Low54 Ų5470.5 Ų70.525%0.2536%0.362CS..Hα-helixtrans-61.1-49178-170.467.7000110.9A422 I423 L428 G429 D430 P460A422-H426 PolarHBondContact O-N 3.14Å; A422-H426 VanDerWaalsContact O-N 3.11Å; I423-H426 PolarHBondContact O-N 2.99Å; H426-L428 PolarHBondContact O-N 3.42Å; H426-G429 PolarHBondContact O-N 3.36Å; H426-D430 IonicContact CD2-OD2 3.87Å; H426-D430 IonicContact NE2-OD2 3.14Å; H426-D430 PolarHBondContact O-N 3Å; H426-P460 PolarHBondContact ND1-O 3.02Å
427L70.8Confident67.2Low84 Ų8467.5 Ų67.544%0.4435%0.345SS..Hα-helixtrans-61.1-40.5176.5-70.5172.3000113.1I423 F424 R431I423-L427 HydrophobicContact CG2-CD1 3.89Å; I423-L427 HydrophobicContact CG2-CG 4.25Å; I423-L427 WeakPolarHBondContact O-CB 3.28Å; I423-L427 VanDerWaalsContact O-CG 3.32Å; I423-L427 WeakPolarHBondContact O-CG 3.08Å; I423-L427 PolarHBondContact O-N 3.16Å; F424-L427 PolarHBondContact O-N 3.1Å; L427-R431 VanDerWaalsContact O-CB 3.29Å; L427-R431 WeakPolarHBondContact O-CB 3.33Å; L427-R431 PolarHBondContact O-N 2.9Å
428L74.5Confident68.2Low12 Ų1262.8 Ų62.86%0.06333%0.327CS..Hα-helixtrans-68.2-39.9177.2-171.265.7000111.3F409 V412 F424 R425 H426 R431 I432F409-L428 HydrophobicContact CB-CD2 4Å; F409-L428 HydrophobicContact CD2-CB 4.08Å; F409-L428 HydrophobicContact CD2-CD2 3.62Å; F409-L428 HydrophobicContact CD2-CG 3.78Å; F409-L428 HydrophobicContact CE2-CB 4.35Å; F409-L428 HydrophobicContact CG-CD2 4.2Å; V412-L428 HydrophobicContact CG2-CD2 4.41Å; F424-L428 HydrophobicContact CE1-CD2 4.45Å; F424-L428 VanDerWaalsContact O-CB 3.31Å; F424-L428 WeakPolarHBondContact O-CB 3.46Å; F424-L428 PolarHBondContact O-N 3.35Å; R425-L428 PolarHBondContact O-N 2.95Å; H426-L428 PolarHBondContact O-N 3.42Å; L428-R431 PolarHBondContact O-N 3.49Å; L428-I432 HydrophobicContact CG-CD1 4.43Å; L428-I432 VanDerWaalsContact O-CG1 3.28Å; L428-I432 WeakPolarHBondContact O-CG1 3.47Å; L428-I432 PolarHBondContact O-N 2.97Å; L428-I432 VanDerWaalsContact O-N 3.08Å
429G76.9Confident69.2Low0 Ų060.9 Ų60.90%031%0.313CS..Hα-helixtrans-63.2-45.1174.800000112.3R425 H426 I432 C433R425-G429 PolarHBondContact O-N 3.16Å; H426-G429 PolarHBondContact O-N 3.36Å; G429-I432 PolarHBondContact O-N 3.31Å; G429-C433 PolarHBondContact O-N 3.06Å; G429-C433 PolarHBondContact O-SG 3.01Å
430D73.1Confident69.8Low54 Ų5461 Ų6129%0.28931%0.308SS..Hα-helixtrans-63.5-43.7176.1-76.4-9000111.6H426 I432 C433 E434 P460H426-D430 IonicContact CD2-OD2 3.87Å; H426-D430 IonicContact NE2-OD2 3.14Å; H426-D430 PolarHBondContact O-N 3Å; D430-I432 VanDerWaalsContact C-N 3.32Å; D430-I432 PolarHBondContact O-N 2.65Å; D430-C433 WeakPolarHBondContact O-CB 3.47Å; D430-C433 PolarHBondContact O-N 3.2Å; D430-C433 VanDerWaalsContact O-N 3.13Å; D430-E434 PolarHBondContact O-N 3.37Å; D430-P460 VanDerWaalsContact OD1-CB 3.32Å; D430-P460 WeakPolarHBondContact OD1-CB 3.39Å; D430-P460 VanDerWaalsContact OD1-CG 3.24Å; D430-P460 WeakPolarHBondContact OD1-CG 3.45Å
431R80.3Confident70.3Confident139 Ų13963.9 Ų63.953%0.52531%0.31SS..Hα-helixtrans-57-45.6175.6176.9-180168.9-168.3-4.1111.6L427 L428 C433 E434 L435L427-R431 VanDerWaalsContact O-CB 3.29Å; L427-R431 WeakPolarHBondContact O-CB 3.33Å; L427-R431 PolarHBondContact O-N 2.9Å; L428-R431 PolarHBondContact O-N 3.49Å; R431-C433 VanDerWaalsContact C-N 3.3Å; R431-C433 PolarHBondContact O-N 3.14Å; R431-E434 PolarHBondContact O-N 2.65Å; R431-L435 HydrophobicContact CG-CD1 3.59Å; R431-L435 HydrophobicContact CG-CG 4.19Å; R431-L435 WeakPolarHBondContact O-CB 3.37Å; R431-L435 VanDerWaalsContact O-CG 3.31Å; R431-L435 WeakPolarHBondContact O-CG 3.41Å; R431-L435 PolarHBondContact O-N 3.31Å
432I80.5Confident70.5Confident0 Ų063.1 Ų63.10%031%0.314CS..Hα-helixtrans-63.2-40.5178.2-68.1167.5000110.6L402 D405 L406 F409 L428 G429 D430 Y436 L459L402-I432 HydrophobicContact CD1-CG2 3.76Å; D405-I432 HydrophobicContact CB-CD1 4.15Å; D405-I432 HydrophobicContact CB-CG1 4.06Å; L406-I432 HydrophobicContact CD2-CD1 4.33Å; L406-I432 HydrophobicContact CD2-CG2 4.03Å; F409-I432 HydrophobicContact CB-CD1 4.16Å; F409-I432 HydrophobicContact CD2-CD1 4.12Å; F409-I432 HydrophobicContact CG-CD1 4.44Å; L428-I432 HydrophobicContact CG-CD1 4.43Å; L428-I432 VanDerWaalsContact O-CG1 3.28Å; L428-I432 WeakPolarHBondContact O-CG1 3.47Å; L428-I432 PolarHBondContact O-N 2.97Å; L428-I432 VanDerWaalsContact O-N 3.08Å; G429-I432 PolarHBondContact O-N 3.31Å; D430-I432 VanDerWaalsContact C-N 3.32Å; D430-I432 PolarHBondContact O-N 2.65Å; I432-Y436 HydrophobicContact CG2-CD2 4.24Å; I432-Y436 PolarHBondContact O-N 2.69Å; I432-Y436 VanDerWaalsContact O-N 3.13Å; I432-L459 HydrophobicContact CB-CD1 4.35Å; I432-L459 HydrophobicContact CG2-CD1 3.77Å
433C80.1Confident70.6Confident18 Ų1865.2 Ų65.212%0.12232%0.324CS..Iπ-helixtrans-64.9-43.3178-66.10000112.2G429 D430 R431 L437 N438G429-C433 PolarHBondContact O-N 3.06Å; G429-C433 PolarHBondContact O-SG 3.01Å; D430-C433 WeakPolarHBondContact O-CB 3.47Å; D430-C433 PolarHBondContact O-N 3.2Å; D430-C433 VanDerWaalsContact O-N 3.13Å; R431-C433 VanDerWaalsContact C-N 3.3Å; R431-C433 PolarHBondContact O-N 3.14Å; C433-L437 CarbonylContact O-C 3.37Å; C433-L437 WeakPolarHBondContact O-CA 3.49Å; C433-L437 WeakPolarHBondContact O-CB 3.35Å; C433-L437 PolarHBondContact O-N 2.88Å; C433-L437 VanDerWaalsContact O-N 3.11Å; C433-N438 PolarHBondContact O-N 3.44Å
434E77.9Confident70.7Confident101 Ų10170 Ų7047%0.47234%0.336SS..Iπ-helixtrans-70.1-42.6179.2-73.7-61.7155.700112.9D430 R431 N438D430-E434 PolarHBondContact O-N 3.37Å; R431-E434 PolarHBondContact O-N 2.65Å; E434-N438 VanDerWaalsContact O-CB 3.26Å; E434-N438 WeakPolarHBondContact O-CB 3.36Å; E434-N438 PolarHBondContact OE2-ND2 3.17Å
435L76.4Confident71.2Confident88 Ų8866 Ų6646%0.46132%0.319SS..Iπ-helixtrans-75-38.9-175.3-70.4178.1000113.6R431R431-L435 HydrophobicContact CG-CD1 3.59Å; R431-L435 HydrophobicContact CG-CG 4.19Å; R431-L435 WeakPolarHBondContact O-CB 3.37Å; R431-L435 VanDerWaalsContact O-CG 3.31Å; R431-L435 WeakPolarHBondContact O-CG 3.41Å; R431-L435 PolarHBondContact O-N 3.31Å
436Y77.6Confident71.8Confident42 Ų4267.3 Ų67.317%0.16533%0.332CS..Iπ-helixtrans-117.8-28.5-168.5-58-73.1000114.2D401 L402 D405 I432 L445D401-Y436 HydrophobicContact CB-CE1 3.94Å; D401-Y436 WeakPolarHBondContact CB-OH 3.31Å; L402-Y436 HydrophobicContact CB-CD1 3.92Å; L402-Y436 HydrophobicContact CB-CD2 4.35Å; L402-Y436 HydrophobicContact CB-CE1 4.29Å; L402-Y436 HydrophobicContact CB-CG 3.95Å; L402-Y436 HydrophobicContact CD1-CD2 3.85Å; L402-Y436 HydrophobicContact CD1-CG 3.88Å; L402-Y436 HydrophobicContact CG-CG 4.41Å; D405-Y436 HydrophobicContact CB-CE2 4.39Å; D405-Y436 WeakPolarHBondContact OD2-CE2 3.42Å; D405-Y436 PolarHBondContact OD2-OH 2.99Å; I432-Y436 HydrophobicContact CG2-CD2 4.24Å; I432-Y436 PolarHBondContact O-N 2.69Å; I432-Y436 VanDerWaalsContact O-N 3.13Å; Y436-L445 VanDerWaalsContact O-CD1 3.26Å; Y436-L445 WeakPolarHBondContact O-CD1 3.35Å
437L77.4Confident72.5Confident6 Ų665.4 Ų65.43%0.03132%0.323CS..Iπ-helixtrans-103.6-14.9-173.2-50.7178.4000112C433 E439 I452 L455 K456 L459C433-L437 CarbonylContact O-C 3.37Å; C433-L437 WeakPolarHBondContact O-CA 3.49Å; C433-L437 WeakPolarHBondContact O-CB 3.35Å; C433-L437 PolarHBondContact O-N 2.88Å; C433-L437 VanDerWaalsContact O-N 3.11Å; L437-E439 PolarHBondContact O-N 3.28Å; L437-I452 HydrophobicContact CD2-CG2 4.29Å; L437-L455 HydrophobicContact CD1-CB 3.63Å; L437-L455 HydrophobicContact CD1-CD1 4.42Å; L437-L455 HydrophobicContact CD2-CD1 4.48Å; L437-K456 HydrophobicContact CB-CD 4.36Å; L437-K456 HydrophobicContact CB-CG 3.78Å; L437-K456 HydrophobicContact CD1-CG 3.93Å; L437-K456 HydrophobicContact CG-CG 4.49Å; L437-K456 WeakPolarHBondContact O-CE 3.43Å; L437-K456 PolarHBondContact O-NZ 3.47Å; L437-L459 HydrophobicContact CD1-CD1 4.19Å
438N73.6Confident73.1Confident38 Ų3867.6 Ų67.620%0.20333%0.329CS..  trans-72117.4179.2-166.1-16.5000111.3C433 E434 Q440 I441C433-N438 PolarHBondContact O-N 3.44Å; E434-N438 VanDerWaalsContact O-CB 3.26Å; E434-N438 WeakPolarHBondContact O-CB 3.36Å; E434-N438 PolarHBondContact OE2-ND2 3.17Å; N438-Q440 PolarHBondContact O-N 3.04Å; N438-Q440 WeakPolarHBondContact OD1-CB 3.39Å; N438-Q440 PolarHBondContact OD1-N 3.11Å; N438-I441 HydrophobicContact CB-CB 4.47Å; N438-I441 HydrophobicContact CB-CD1 4.16Å; N438-I441 HydrophobicContact CB-CG1 4.31Å; N438-I441 VanDerWaalsContact ND2-CD1 3.34Å; N438-I441 WeakPolarHBondContact ND2-CD1 3.43Å; N438-I441 PolarHBondContact O-N 2.91Å
439E65.4Low73.2Confident102 Ų10271.8 Ų71.848%0.47736%0.36SS..THydrogen-bonded Turntrans-72.1-11-178-65.3-178.7-148.200113.2L437 R444 K456L437-E439 PolarHBondContact O-N 3.28Å; E439-R444 IonicContact OE2-CZ 3.38Å; E439-R444 IonicContact OE2-NE 2.74Å; E439-R444 PolarHBondContact OE2-NE 3.16Å; E439-R444 IonicContact OE2-NH2 3.4Å; E439-R444 PolarHBondContact OE2-NH2 2.75Å; E439-K456 IonicContact OE1-NZ 3.57Å; E439-K456 PolarHBondContact OE1-NZ 2.77Å
440Q56Low73.4Confident182 Ų18278.2 Ų78.285%0.8539%0.39SS*.THydrogen-bonded Turntrans-91.5-19-179-59-176.21.200113.3N438N438-Q440 PolarHBondContact O-N 3.04Å; N438-Q440 WeakPolarHBondContact OD1-CB 3.39Å; N438-Q440 PolarHBondContact OD1-N 3.11Å
441I57.8Low73.8Confident113 Ų11375.6 Ų75.658%0.57938%0.376SS*.THydrogen-bonded Turntrans-105.6-24.1-169.8-59.3177000112.1N438N438-I441 HydrophobicContact CB-CB 4.47Å; N438-I441 HydrophobicContact CB-CD1 4.16Å; N438-I441 HydrophobicContact CB-CG1 4.31Å; N438-I441 VanDerWaalsContact ND2-CD1 3.34Å; N438-I441 WeakPolarHBondContact ND2-CD1 3.43Å; N438-I441 PolarHBondContact O-N 2.91Å
442G59.2Low73.9Confident33 Ų3370.4 Ų70.434%0.3436%0.358SS..SBendtrans-152.2172.8-175.800000116
443P61.3Low73.9Confident76 Ų7674.7 Ų74.749%0.49438%0.379SS..PPolyproline II helixtrans-63.5140.8176.227.5-33.1000110.8L445P443-L445 PolarHBondContact O-N 3.05Å
444R64.1Low73.9Confident196 Ų19674 Ų7474%0.7438%0.375SS*.PPolyproline II helixtrans-60.3121.8179.8-75.3-176.7171.7167.9-2.6110.6E439E439-R444 IonicContact OE2-CZ 3.38Å; E439-R444 IonicContact OE2-NE 2.74Å; E439-R444 PolarHBondContact OE2-NE 3.16Å; E439-R444 IonicContact OE2-NH2 3.4Å; E439-R444 PolarHBondContact OE2-NH2 2.75Å
445L77.5Confident74.1Confident13 Ų1369.3 Ų69.37%0.06835%0.353CS..PPolyproline II helixtrans-64.2140.4175.5-65.9175.7000110.7Q398 L399 L402 Y436 P443 L447Q398-L445 HydrophobicContact CB-CD2 4.1Å; L399-L445 HydrophobicContact CD2-CB 4.35Å; L399-L445 HydrophobicContact CD2-CD2 3.97Å; L399-L445 HydrophobicContact CG-CD2 4.24Å; L402-L445 HydrophobicContact CD2-CD1 3.61Å; Y436-L445 VanDerWaalsContact O-CD1 3.26Å; Y436-L445 WeakPolarHBondContact O-CD1 3.35Å; P443-L445 PolarHBondContact O-N 3.05Å; L445-L447 HydrophobicContact CB-CD1 4.43Å; L445-L447 HydrophobicContact CB-CG 4.3Å; L445-L447 HydrophobicContact CD1-CD1 4.39Å; L445-L447 PolarHBondContact O-N 3.3Å
446P79.1Confident74.3Confident62 Ų6267.8 Ų67.840%0.40334%0.342SS..SBendtrans-76.946.7179.634.2-38.3000112.4V395 L399V395-P446 HydrophobicContact CG1-CG 4.11Å; L399-P446 HydrophobicContact CD1-CG 3.89Å
447L82.5Confident74.3Confident14 Ų1471.4 Ų71.47%0.07336%0.361CS..SBendtrans-101157.6174.6-60.2176.5000110.1L399 L402 L445 S449 I452 E474 I475L399-L447 HydrophobicContact CD2-CD1 4.46Å; L399-L447 HydrophobicContact CD2-CD2 4.15Å; L399-L447 HydrophobicContact CD2-CG 4.18Å; L402-L447 HydrophobicContact CD2-CD1 3.89Å; L445-L447 HydrophobicContact CB-CD1 4.43Å; L445-L447 HydrophobicContact CB-CG 4.3Å; L445-L447 HydrophobicContact CD1-CD1 4.39Å; L445-L447 PolarHBondContact O-N 3.3Å; L447-S449 PolarHBondContact O-N 3.06Å; L447-I452 HydrophobicContact CB-CD1 4.02Å; L447-I452 HydrophobicContact CB-CG1 3.86Å; L447-E474 HydrophobicContact CD2-CB 3.81Å; L447-I475 HydrophobicContact CD2-CG1 3.82Å
448K82.9Confident74.4Confident130 Ų13073.6 Ų73.657%0.56537%0.372SS*.  trans-62.7135.8176.7-66.8-176-173.9-178.90110.2Q450 T451 I452 E474K448-Q450 PolarHBondContact O-N 3.34Å; K448-Q450 VanDerWaalsContact O-N 3.14Å; K448-T451 WeakPolarHBondContact O-CA 3.26Å; K448-T451 WeakPolarHBondContact O-CB 3.35Å; K448-T451 PolarHBondContact O-N 2.69Å; K448-I452 PolarHBondContact O-N 3.5Å; K448-I452 VanDerWaalsContact O-N 3.09Å; K448-E474 WeakPolarHBondContact CD-OE1 3.24Å; K448-E474 WeakPolarHBondContact CG-OE2 3.42Å; K448-E474 PolarHBondContact N-OE2 3.48Å
449S77.9Confident74.6Confident101 Ų10171.9 Ų71.971%0.70636%0.363SS*.Hα-helixtrans-56.1-36.1-178.2-45.50000113.2L447 T451 I452 Q453L447-S449 PolarHBondContact O-N 3.06Å; S449-T451 VanDerWaalsContact C-N 3.31Å; S449-T451 PolarHBondContact O-N 3.45Å; S449-I452 PolarHBondContact O-N 3.18Å; S449-Q453 WeakPolarHBondContact O-CB 3.43Å; S449-Q453 PolarHBondContact O-N 2.86Å
450Q80.7Confident75Confident134 Ų13468.3 Ų68.363%0.62635%0.349SS*.Hα-helixtrans-61.6-38.1173.6-67.6176.9-11.500112.7K448 G454 W467K448-Q450 PolarHBondContact O-N 3.34Å; K448-Q450 VanDerWaalsContact O-N 3.14Å; Q450-G454 PolarHBondContact O-N 2.85Å; Q450-W467 HydrophobicContact CB-CZ3 4.45Å; Q450-W467 WeakPolarHBondContact O-CZ3 3.46Å
451T81.8Confident75.5Confident0 Ų061.7 Ų61.70%032%0.323CS..Hα-helixtrans-72.6-41.8-179.4-54.40000110.5K448 S449 L455 K470 A471 E474K448-T451 WeakPolarHBondContact O-CA 3.26Å; K448-T451 WeakPolarHBondContact O-CB 3.35Å; K448-T451 PolarHBondContact O-N 2.69Å; S449-T451 VanDerWaalsContact C-N 3.31Å; S449-T451 PolarHBondContact O-N 3.45Å; T451-L455 HydrophobicContact CG2-CD1 4.49Å; T451-L455 WeakPolarHBondContact O-CB 3.33Å; T451-L455 VanDerWaalsContact O-CG 3.29Å; T451-L455 WeakPolarHBondContact O-CG 3.48Å; T451-L455 PolarHBondContact O-N 3.09Å; T451-K470 HydrophobicContact CG2-CB 4.49Å; T451-K470 HydrophobicContact CG2-CD 4.5Å; T451-K470 HydrophobicContact CG2-CG 4.35Å; T451-K470 WeakPolarHBondContact OG1-CD 3.42Å; T451-K470 VanDerWaalsContact OG1-CE 3.3Å; T451-K470 WeakPolarHBondContact OG1-CE 3.17Å; T451-A471 HydrophobicContact CG2-CB 3.71Å; T451-E474 PolarHBondContact OG1-OE1 2.9Å
452I82.1Confident75.8Confident29 Ų2956.9 Ų56.915%0.14930%0.3CS..Hα-helixtrans-62-47.1174.8-64.3173.4000110.6L437 L447 K448 S449 L455 K456L437-I452 HydrophobicContact CD2-CG2 4.29Å; L447-I452 HydrophobicContact CB-CD1 4.02Å; L447-I452 HydrophobicContact CB-CG1 3.86Å; K448-I452 PolarHBondContact O-N 3.5Å; K448-I452 VanDerWaalsContact O-N 3.09Å; S449-I452 PolarHBondContact O-N 3.18Å; I452-L455 PolarHBondContact O-N 2.99Å; I452-K456 HydrophobicContact CG2-CD 4.21Å; I452-K456 WeakPolarHBondContact O-CG 3.14Å; I452-K456 PolarHBondContact O-N 3.46Å
453Q80.8Confident76.1Confident91 Ų9157.7 Ų57.743%0.42530%0.297SS..Hα-helixtrans-63.9-45.7-179.7-169.564.319.300111.8S449 L455 K456 E457S449-Q453 WeakPolarHBondContact O-CB 3.43Å; S449-Q453 PolarHBondContact O-N 2.86Å; Q453-L455 VanDerWaalsContact C-N 3.31Å; Q453-L455 PolarHBondContact O-N 3.35Å; Q453-K456 PolarHBondContact O-N 3.16Å; Q453-E457 WeakPolarHBondContact CG-OE1 3.39Å; Q453-E457 PolarHBondContact NE2-OE1 3.49Å; Q453-E457 WeakPolarHBondContact O-CG 3.42Å; Q453-E457 PolarHBondContact O-N 3.32Å
454G79.3Confident76.5Confident4 Ų454.4 Ų54.44%0.04128%0.276CS..Hα-helixtrans-64-33.6177.500000113.6Q450 L458Q450-G454 PolarHBondContact O-N 2.85Å; G454-L458 WeakPolarHBondContact O-CB 3.5Å; G454-L458 PolarHBondContact O-N 3.5Å
455L82.5Confident76.9Confident2 Ų248 Ų481%0.0126%0.256CS..Hα-helixtrans-68.4-45.9172.3-74.5175.5000111.8L406 L437 T451 I452 Q453 E457 L458 L459 W467 I468 A471L406-L455 HydrophobicContact CD2-CD2 4.43Å; L437-L455 HydrophobicContact CD1-CB 3.63Å; L437-L455 HydrophobicContact CD1-CD1 4.42Å; L437-L455 HydrophobicContact CD2-CD1 4.48Å; T451-L455 HydrophobicContact CG2-CD1 4.49Å; T451-L455 WeakPolarHBondContact O-CB 3.33Å; T451-L455 VanDerWaalsContact O-CG 3.29Å; T451-L455 WeakPolarHBondContact O-CG 3.48Å; T451-L455 PolarHBondContact O-N 3.09Å; I452-L455 PolarHBondContact O-N 2.99Å; Q453-L455 VanDerWaalsContact C-N 3.31Å; Q453-L455 PolarHBondContact O-N 3.35Å; L455-E457 VanDerWaalsContact C-N 3.32Å; L455-E457 PolarHBondContact O-N 2.81Å; L455-L458 PolarHBondContact O-N 3.49Å; L455-L459 HydrophobicContact CB-CD1 3.91Å; L455-L459 HydrophobicContact CB-CG 4.41Å; L455-L459 HydrophobicContact CD2-CD1 4.03Å; L455-L459 HydrophobicContact CD2-CD2 4.46Å; L455-L459 HydrophobicContact CD2-CG 4.1Å; L455-L459 HydrophobicContact CG-CD1 4.48Å; L455-L459 WeakPolarHBondContact O-CB 3.39Å; L455-L459 WeakPolarHBondContact O-CD1 3.27Å; L455-L459 VanDerWaalsContact O-CG 3.29Å; L455-L459 WeakPolarHBondContact O-CG 3.49Å; L455-L459 PolarHBondContact O-N 3.37Å; L455-W467 HydrophobicContact CD2-CB 3.85Å; L455-W467 HydrophobicContact CG-CB 4.24Å; L455-I468 HydrophobicContact CD2-CG1 3.89Å; L455-A471 HydrophobicContact CD1-CB 3.73Å
456K81.1Confident76.7Confident56 Ų5651 Ų5124%0.24328%0.276CS..Hα-helixtrans-57.9-42.8179.2-76.5178.4178.7-176.70112.7L437 E439 I452 Q453L437-K456 HydrophobicContact CB-CD 4.36Å; L437-K456 HydrophobicContact CB-CG 3.78Å; L437-K456 HydrophobicContact CD1-CG 3.93Å; L437-K456 HydrophobicContact CG-CG 4.49Å; L437-K456 WeakPolarHBondContact O-CE 3.43Å; L437-K456 PolarHBondContact O-NZ 3.47Å; E439-K456 IonicContact OE1-NZ 3.57Å; E439-K456 PolarHBondContact OE1-NZ 2.77Å; I452-K456 HydrophobicContact CG2-CD 4.21Å; I452-K456 WeakPolarHBondContact O-CG 3.14Å; I452-K456 PolarHBondContact O-N 3.46Å; Q453-K456 PolarHBondContact O-N 3.16Å
457E78.1Confident76.8Confident118 Ų11850.9 Ų50.955%0.55127%0.267SS*.Hα-helixtrans-76.8-34.8-175.2-71173.7-177.100112.8Q453 L455Q453-E457 WeakPolarHBondContact CG-OE1 3.39Å; Q453-E457 PolarHBondContact NE2-OE1 3.49Å; Q453-E457 WeakPolarHBondContact O-CG 3.42Å; Q453-E457 PolarHBondContact O-N 3.32Å; L455-E457 VanDerWaalsContact C-N 3.32Å; L455-E457 PolarHBondContact O-N 2.81Å
458L78.8Confident76.9Confident52 Ų5250.2 Ų50.227%0.27226%0.264SS..Hα-helixtrans-114.2-17.2-164.1-61.4166.2000115G454 L455 S461 G462 D463 W467G454-L458 WeakPolarHBondContact O-CB 3.5Å; G454-L458 PolarHBondContact O-N 3.5Å; L455-L458 PolarHBondContact O-N 3.49Å; L458-S461 WeakPolarHBondContact CA-OG 3.46Å; L458-S461 PolarHBondContact O-N 3.4Å; L458-S461 PolarHBondContact O-OG 3.38Å; L458-G462 PolarHBondContact O-N 3.38Å; L458-D463 VanDerWaalsContact CB-O 3.28Å; L458-D463 WeakPolarHBondContact CB-O 3.39Å; L458-D463 HydrophobicContact CD2-CB 4.33Å; L458-D463 PolarHBondContact O-N 2.84Å; L458-W467 VanDerWaalsContact CD1-CD1 3.44Å
459L77.9Confident76.8Confident2 Ų245.5 Ų45.51%0.0125%0.246CC..THydrogen-bonded Turntrans-56.6-47.4173.3-83.8167.7000112.7L406 F409 I432 L437 L455 S461 G462 I468L406-L459 HydrophobicContact CD2-CD1 4.17Å; L406-L459 HydrophobicContact CD2-CD2 4.05Å; F409-L459 HydrophobicContact CD1-CD2 4.4Å; F409-L459 HydrophobicContact CE1-CD2 4.32Å; F409-L459 HydrophobicContact CZ-CD2 4.42Å; F409-L459 WeakPolarHBondContact CZ-O 3.16Å; I432-L459 HydrophobicContact CB-CD1 4.35Å; I432-L459 HydrophobicContact CG2-CD1 3.77Å; L437-L459 HydrophobicContact CD1-CD1 4.19Å; L455-L459 HydrophobicContact CB-CD1 3.91Å; L455-L459 HydrophobicContact CB-CG 4.41Å; L455-L459 HydrophobicContact CD2-CD1 4.03Å; L455-L459 HydrophobicContact CD2-CD2 4.46Å; L455-L459 HydrophobicContact CD2-CG 4.1Å; L455-L459 HydrophobicContact CG-CD1 4.48Å; L455-L459 WeakPolarHBondContact O-CB 3.39Å; L455-L459 WeakPolarHBondContact O-CD1 3.27Å; L455-L459 VanDerWaalsContact O-CG 3.29Å; L455-L459 WeakPolarHBondContact O-CG 3.49Å; L455-L459 PolarHBondContact O-N 3.37Å; L459-S461 PolarHBondContact O-N 3.21Å; L459-G462 PolarHBondContact O-N 3.34Å; L459-I468 HydrophobicContact CD2-CD1 3.78Å; L459-I468 HydrophobicContact CD2-CG1 4.17Å
460P74.2Confident77Confident27 Ų2743.6 Ų43.618%0.17523%0.225CC..THydrogen-bonded Turntrans-67.4-23.5179.5-21.935.8000113.6H426 D430H426-P460 PolarHBondContact ND1-O 3.02Å; D430-P460 VanDerWaalsContact OD1-CB 3.32Å; D430-P460 WeakPolarHBondContact OD1-CB 3.39Å; D430-P460 VanDerWaalsContact OD1-CG 3.24Å; D430-P460 WeakPolarHBondContact OD1-CG 3.45Å
461S65.4Low77.3Confident43 Ų4337.2 Ų37.230%0.30120%0.196SC..THydrogen-bonded Turntrans-84.2-18179.8750000113.9L458 L459 D463L458-S461 WeakPolarHBondContact CA-OG 3.46Å; L458-S461 PolarHBondContact O-N 3.4Å; L458-S461 PolarHBondContact O-OG 3.38Å; L459-S461 PolarHBondContact O-N 3.21Å; S461-D463 VanDerWaalsContact C-N 3.33Å; S461-D463 PolarHBondContact OG-N 2.92Å
462G64.1Low77.5Confident11 Ų1137.2 Ų37.211%0.11320%0.196CC..THydrogen-bonded Turntrans83.6-1.9-175.600000115.3L458 L459 V464L458-G462 PolarHBondContact O-N 3.38Å; L459-G462 PolarHBondContact O-N 3.34Å; G462-V464 WeakPolarHBondContact O-CG2 3.26Å; G462-V464 PolarHBondContact O-N 3.41Å; G462-V464 VanDerWaalsContact O-N 3.11Å
463D67.1Low77.6Confident51 Ų5140.8 Ų40.827%0.27321%0.21SC..  trans-84.679.9175.3-80.7-24.6000112H350 S352 L458 S461H350-D463 IonicContact CD2-OD2 3.82Å; H350-D463 IonicContact CG-OD2 3.79Å; S352-D463 PolarHBondContact OG-OD1 3.32Å; L458-D463 VanDerWaalsContact CB-O 3.28Å; L458-D463 WeakPolarHBondContact CB-O 3.39Å; L458-D463 HydrophobicContact CD2-CB 4.33Å; L458-D463 PolarHBondContact O-N 2.84Å; S461-D463 VanDerWaalsContact C-N 3.33Å; S461-D463 PolarHBondContact OG-N 2.92Å
464V68.7Low77.8Confident7 Ų737.5 Ų37.54%0.04220%0.195CC..  trans-96.8-11.5-156.61740000113.5F409 L410 L413 G462 W467 I468F409-V464 HydrophobicContact CD1-CG1 4.48Å; F409-V464 HydrophobicContact CD1-CG2 4.35Å; F409-V464 HydrophobicContact CE1-CG1 4.34Å; F409-V464 HydrophobicContact CE1-CG2 3.46Å; F409-V464 VanDerWaalsContact CE1-CG2 3.46Å; F409-V464 HydrophobicContact CZ-CG2 4.17Å; L410-V464 HydrophobicContact CD2-CG1 3.95Å; L413-V464 HydrophobicContact CD1-CB 4.31Å; L413-V464 HydrophobicContact CD1-CG1 4.4Å; L413-V464 HydrophobicContact CD1-CG2 4.04Å; G462-V464 WeakPolarHBondContact O-CG2 3.26Å; G462-V464 PolarHBondContact O-N 3.41Å; G462-V464 VanDerWaalsContact O-N 3.11Å; V464-W467 PolarHBondContact O-N 3.39Å; V464-I468 HydrophobicContact CB-CD1 4.46Å; V464-I468 HydrophobicContact CG1-CB 3.82Å; V464-I468 HydrophobicContact CG1-CD1 3.06Å; V464-I468 HydrophobicContact CG1-CG1 3.34Å; V464-I468 PolarHBondContact O-N 3.44Å; V464-I468 VanDerWaalsContact O-N 3.14Å
465I72.4Confident78.3Confident62 Ų6237.3 Ų37.332%0.31819%0.193SC..THydrogen-bonded Turntrans-102.3127.7179.7-59.8167.5000108.3T356 I357 A360T356-I465 HydrophobicContact CG2-CD1 3.78Å; I357-I465 HydrophobicContact CG1-CD1 4.27Å; A360-I465 HydrophobicContact CB-CD1 3.56Å; A360-I465 HydrophobicContact CB-CG1 3.83Å
466P72.9Confident78.5Confident76 Ų7637.5 Ų37.549%0.49419%0.194SC..THydrogen-bonded Turncis-100.87.315.138-35.8000115.3P469 K470P466-P469 WeakPolarHBondContact O-CD 2.98Å; P466-K470 WeakPolarHBondContact O-CB 3.45Å; P466-K470 PolarHBondContact O-N 3.27Å; P466-K470 VanDerWaalsContact O-N 3.14Å
467W82.6Confident78.7Confident58 Ų5841.7 Ų41.722%0.2221%0.212CC..Hα-helixtrans-71-41-163.8-59.3112.5000114.5Q450 L455 L458 V464 K470 A471Q450-W467 HydrophobicContact CB-CZ3 4.45Å; Q450-W467 WeakPolarHBondContact O-CZ3 3.46Å; L455-W467 HydrophobicContact CD2-CB 3.85Å; L455-W467 HydrophobicContact CG-CB 4.24Å; L458-W467 VanDerWaalsContact CD1-CD1 3.44Å; V464-W467 PolarHBondContact O-N 3.39Å; W467-K470 HydrophobicContact CE3-CD 4.13Å; W467-K470 HydrophobicContact CZ3-CD 4.13Å; W467-K470 PolarHBondContact O-N 2.9Å; W467-A471 WeakPolarHBondContact O-CB 3.22Å; W467-A471 PolarHBondContact O-N 3.28Å
468I82.7Confident79.2Confident1 Ų140.6 Ų40.61%0.00521%0.208CC..Hα-helixtrans-62.5-52.2175.7-70.9-168.2000112L406 F409 L410 L455 L459 V464 K470 A471 Q472L406-I468 HydrophobicContact CB-CD1 4.28Å; L406-I468 HydrophobicContact CB-CG2 4.13Å; L406-I468 HydrophobicContact CD2-CD1 3.82Å; L406-I468 HydrophobicContact CD2-CG1 3.95Å; F409-I468 HydrophobicContact CD1-CD1 4.02Å; L410-I468 HydrophobicContact CD1-CG2 3.62Å; L410-I468 HydrophobicContact CD2-CD1 4.3Å; L410-I468 HydrophobicContact CD2-CG2 4.46Å; L410-I468 HydrophobicContact CG-CD1 4.25Å; L410-I468 HydrophobicContact CG-CG2 4.09Å; L455-I468 HydrophobicContact CD2-CG1 3.89Å; L459-I468 HydrophobicContact CD2-CD1 3.78Å; L459-I468 HydrophobicContact CD2-CG1 4.17Å; V464-I468 HydrophobicContact CB-CD1 4.46Å; V464-I468 HydrophobicContact CG1-CB 3.82Å; V464-I468 HydrophobicContact CG1-CD1 3.06Å; V464-I468 HydrophobicContact CG1-CG1 3.34Å; V464-I468 PolarHBondContact O-N 3.44Å; V464-I468 VanDerWaalsContact O-N 3.14Å; I468-K470 PolarHBondContact O-N 3.49Å; I468-A471 PolarHBondContact O-N 3.25Å; I468-A471 VanDerWaalsContact O-N 3.15Å; I468-Q472 HydrophobicContact CG2-CG 4.09Å; I468-Q472 WeakPolarHBondContact O-CG 3.25Å; I468-Q472 PolarHBondContact O-N 3.14Å
469P81.1Confident79.7Confident30 Ų3038.1 Ų38.120%0.19520%0.195CC..Hα-helixtrans-57.4-34.8176.7-27.134.3000113.4A360 P466 K473A360-P469 HydrophobicContact CB-CG 4.27Å; P466-P469 WeakPolarHBondContact O-CD 2.98Å; P469-K473 WeakPolarHBondContact O-CB 3.39Å; P469-K473 PolarHBondContact O-N 3.17Å
470K83.1Confident80.2Confident62 Ų6239.8 Ų39.827%0.2721%0.207SC..Hα-helixtrans-68.1-44.5176.7-170-179.3179.8-171.10111.8T451 P466 W467 I468 K473 E474T451-K470 HydrophobicContact CG2-CB 4.49Å; T451-K470 HydrophobicContact CG2-CD 4.5Å; T451-K470 HydrophobicContact CG2-CG 4.35Å; T451-K470 WeakPolarHBondContact OG1-CD 3.42Å; T451-K470 VanDerWaalsContact OG1-CE 3.3Å; T451-K470 WeakPolarHBondContact OG1-CE 3.17Å; P466-K470 WeakPolarHBondContact O-CB 3.45Å; P466-K470 PolarHBondContact O-N 3.27Å; P466-K470 VanDerWaalsContact O-N 3.14Å; W467-K470 HydrophobicContact CE3-CD 4.13Å; W467-K470 HydrophobicContact CZ3-CD 4.13Å; W467-K470 PolarHBondContact O-N 2.9Å; I468-K470 PolarHBondContact O-N 3.49Å; K470-K473 PolarHBondContact O-N 2.91Å; K470-E474 WeakPolarHBondContact O-CG 3.41Å; K470-E474 PolarHBondContact O-N 3.46Å; K470-E474 VanDerWaalsContact O-N 3.11Å
471A85.8Confident80.9Confident0 Ų042.3 Ų42.30%022%0.224CC..Hα-helixtrans-63.7-46.817600000111.7L406 T451 L455 W467 I468 K473 E474 I475L406-A471 HydrophobicContact CD1-CB 4.1Å; T451-A471 HydrophobicContact CG2-CB 3.71Å; L455-A471 HydrophobicContact CD1-CB 3.73Å; W467-A471 WeakPolarHBondContact O-CB 3.22Å; W467-A471 PolarHBondContact O-N 3.28Å; I468-A471 PolarHBondContact O-N 3.25Å; I468-A471 VanDerWaalsContact O-N 3.15Å; A471-K473 VanDerWaalsContact C-N 3.28Å; A471-K473 PolarHBondContact O-N 2.92Å; A471-E474 PolarHBondContact O-N 3.2Å; A471-E474 VanDerWaalsContact O-N 3.08Å; A471-I475 VanDerWaalsContact O-CG1 3.3Å; A471-I475 WeakPolarHBondContact O-CG1 3.42Å; A471-I475 PolarHBondContact O-N 3.34Å
472Q86.3Confident82.2Confident0 Ų043.7 Ų43.70%022%0.222CC..Hα-helixtrans-57.6-41.4176-72.2178.4-36.200111.8L367 I468 E474 I475 C476L367-Q472 HydrophobicContact CD1-CB 4.45Å; I468-Q472 HydrophobicContact CG2-CG 4.09Å; I468-Q472 WeakPolarHBondContact O-CG 3.25Å; I468-Q472 PolarHBondContact O-N 3.14Å; Q472-E474 PolarHBondContact O-N 3.35Å; Q472-I475 PolarHBondContact O-N 2.86Å; Q472-C476 WeakPolarHBondContact O-CB 3.45Å; Q472-C476 PolarHBondContact O-N 3.4Å; Q472-C476 PolarHBondContact O-SG 3.21Å
473K84Confident83.4Confident104 Ų10443.2 Ų43.245%0.45222%0.217SC..Hα-helixtrans-62.2-40.7175-178.3166.5-166.6170.30113.2L367 P469 K470 A471 K477L367-K473 HydrophobicContact CD1-CB 4.15Å; L367-K473 HydrophobicContact CD2-CB 3.52Å; L367-K473 HydrophobicContact CD2-CD 3.68Å; L367-K473 HydrophobicContact CD2-CG 3.39Å; P469-K473 WeakPolarHBondContact O-CB 3.39Å; P469-K473 PolarHBondContact O-N 3.17Å; K470-K473 PolarHBondContact O-N 2.91Å; A471-K473 VanDerWaalsContact C-N 3.28Å; A471-K473 PolarHBondContact O-N 2.92Å; K473-K477 WeakPolarHBondContact O-CG 3.42Å; K473-K477 PolarHBondContact O-N 3.38Å
474E86.6Confident84.5Confident22 Ų2241.4 Ų41.410%0.10321%0.207CC..Hα-helixtrans-68.3-45.7177.7-72.4176.9-15600110.7L447 K448 T451 K470 A471 Q472 K477 M478L447-E474 HydrophobicContact CD2-CB 3.81Å; K448-E474 WeakPolarHBondContact CD-OE1 3.24Å; K448-E474 WeakPolarHBondContact CG-OE2 3.42Å; K448-E474 PolarHBondContact N-OE2 3.48Å; T451-E474 PolarHBondContact OG1-OE1 2.9Å; K470-E474 WeakPolarHBondContact O-CG 3.41Å; K470-E474 PolarHBondContact O-N 3.46Å; K470-E474 VanDerWaalsContact O-N 3.11Å; A471-E474 PolarHBondContact O-N 3.2Å; A471-E474 VanDerWaalsContact O-N 3.08Å; Q472-E474 PolarHBondContact O-N 3.35Å; E474-K477 PolarHBondContact O-N 3.03Å; E474-M478 WeakPolarHBondContact O-CG 3.43Å; E474-M478 PolarHBondContact O-N 2.83Å; E474-M478 VanDerWaalsContact O-N 3.15Å
475I88.3Confident85.6Confident0 Ų045.2 Ų45.20%023%0.225CC..Hα-helixtrans-61.5-47.8177.6-63.3165.4000111.3L399 L402 W403 L447 A471 Q472 K477 M478 L479L399-I475 HydrophobicContact CB-CG2 4.12Å; L399-I475 HydrophobicContact CD2-CG1 4.13Å; L402-I475 HydrophobicContact CD2-CD1 4.05Å; L402-I475 HydrophobicContact CG-CD1 4.16Å; W403-I475 HydrophobicContact CB-CD1 4.01Å; W403-I475 HydrophobicContact CB-CG2 3.95Å; W403-I475 HydrophobicContact CG-CG2 4.25Å; L447-I475 HydrophobicContact CD2-CG1 3.82Å; A471-I475 VanDerWaalsContact O-CG1 3.3Å; A471-I475 WeakPolarHBondContact O-CG1 3.42Å; A471-I475 PolarHBondContact O-N 3.34Å; Q472-I475 PolarHBondContact O-N 2.86Å; I475-K477 PolarHBondContact O-N 3.18Å; I475-M478 PolarHBondContact O-N 2.8Å; I475-L479 HydrophobicContact CG2-CD1 3.65Å; I475-L479 HydrophobicContact CG2-CG 4.13Å; I475-L479 PolarHBondContact O-N 3.01Å
476C87.2Confident86.6Confident6 Ų643.1 Ų43.14%0.04121%0.213CC..Hα-helixtrans-57.6-35177.9-73.20000112.6I370 Q472 S480I370-C476 HydrophobicContact CG2-CB 3.65Å; Q472-C476 WeakPolarHBondContact O-CB 3.45Å; Q472-C476 PolarHBondContact O-N 3.4Å; Q472-C476 PolarHBondContact O-SG 3.21Å; C476-S480 WeakPolarHBondContact O-CB 3.49Å; C476-S480 PolarHBondContact O-N 3.09Å
477K86.4Confident87.4Confident143 Ų14339.5 Ų39.562%0.62219%0.19SC*.Hα-helixtrans-69.4-40.4175.6-74.9177.6176.8-166.80112.3K473 E474 I475K473-K477 WeakPolarHBondContact O-CG 3.42Å; K473-K477 PolarHBondContact O-N 3.38Å; E474-K477 PolarHBondContact O-N 3.03Å; I475-K477 PolarHBondContact O-N 3.18Å
478M87.7Confident87.8Confident95 Ų9539.6 Ų39.647%0.46820%0.195SC..Hα-helixtrans-71.2-36.3-179.6-65-57.6-176.400112.4L399 E474 I475 S480 P481L399-M478 HydrophobicContact CD1-CB 4.34Å; E474-M478 WeakPolarHBondContact O-CG 3.43Å; E474-M478 PolarHBondContact O-N 2.83Å; E474-M478 VanDerWaalsContact O-N 3.15Å; I475-M478 PolarHBondContact O-N 2.8Å; M478-S480 VanDerWaalsContact C-N 3.34Å; M478-P481 WeakPolarHBondContact O-CD 3.4Å
479L89.5Confident88.1Confident0 Ų042.1 Ų42.10%021%0.206CC..Hα-helixtrans-81.9-9.7179-64.7179.7000113.7L374 F384 E396 L400 I475 W482 Y483L374-L479 HydrophobicContact CD1-CD1 3.91Å; L374-L479 HydrophobicContact CD2-CD1 4.22Å; F384-L479 HydrophobicContact CE1-CB 4.48Å; E396-L479 HydrophobicContact CB-CD2 3.78Å; E396-L479 HydrophobicContact CG-CD2 4.07Å; L400-L479 HydrophobicContact CB-CD1 4.15Å; L400-L479 HydrophobicContact CD1-CD1 4.27Å; I475-L479 HydrophobicContact CG2-CD1 3.65Å; I475-L479 HydrophobicContact CG2-CG 4.13Å; I475-L479 PolarHBondContact O-N 3.01Å; L479-W482 PolarHBondContact O-N 2.64Å; L479-Y483 WeakPolarHBondContact O-CB 3.34Å; L479-Y483 PolarHBondContact O-N 2.76Å
480S88.5Confident88.5Confident37 Ų3741.3 Ų41.326%0.25920%0.2SC..Hα-helixtrans-60.4-45.1-176.6-171.10000115.9C476 M478 W482 Y483 D484C476-S480 WeakPolarHBondContact O-CB 3.49Å; C476-S480 PolarHBondContact O-N 3.09Å; M478-S480 VanDerWaalsContact C-N 3.34Å; S480-W482 VanDerWaalsContact C-N 3.33Å; S480-W482 PolarHBondContact O-N 3.17Å; S480-Y483 PolarHBondContact O-N 3.47Å; S480-D484 WeakPolarHBondContact O-CB 3.37Å; S480-D484 VanDerWaalsContact O-CG 3.32Å; S480-D484 PolarHBondContact O-N 2.88Å
481P89.4Confident88.9Confident81 Ų8138.9 Ų38.953%0.52619%0.19SC..Hα-helixtrans-63.2-41.5178.7-2234.8000112M478 D484 E485M478-P481 WeakPolarHBondContact O-CD 3.4Å; P481-D484 PolarHBondContact O-N 3.42Å; P481-E485 PolarHBondContact O-N 3.44Å
482W90.9Very high89Confident72 Ų7245.5 Ų45.527%0.27322%0.216SC..Hα-helixtrans-69.1-38.5179.9-59.1117.5000112.5F384 L388 L391 L393 E396 L479 S480 D484 E485 F486F384-W482 HydrophobicContact CE2-CB 4.32Å; F384-W482 HydrophobicContact CZ-CB 4.14Å; L388-W482 HydrophobicContact CD2-CB 3.92Å; L388-W482 HydrophobicContact CD2-CG 4.28Å; L391-W482 HydrophobicContact CD1-CE3 4.04Å; L391-W482 HydrophobicContact CD1-CZ3 4.11Å; L393-W482 HydrophobicContact CD1-CD2 3.54Å; L393-W482 HydrophobicContact CD1-CE3 3.52Å; L393-W482 HydrophobicContact CD1-CG 4.24Å; L393-W482 HydrophobicContact CD1-CH2 3.7Å; L393-W482 HydrophobicContact CD1-CZ2 3.71Å; L393-W482 HydrophobicContact CD1-CZ3 3.61Å; L393-W482 HydrophobicContact CD2-CH2 3.94Å; L393-W482 HydrophobicContact CD2-CZ2 3.87Å; L393-W482 HydrophobicContact CG-CH2 4.45Å; L393-W482 HydrophobicContact CG-CZ2 4.47Å; E396-W482 PolarHBondContact OE1-NE1 3.13Å; L479-W482 PolarHBondContact O-N 2.64Å; S480-W482 VanDerWaalsContact C-N 3.33Å; S480-W482 PolarHBondContact O-N 3.17Å; W482-D484 VanDerWaalsContact C-N 3.33Å; W482-E485 WeakPolarHBondContact CZ3-OE2 3.31Å; W482-E485 PolarHBondContact O-N 3.05Å; W482-F486 PolarHBondContact O-N 3.43Å
483Y91.3Very high89.1Confident1 Ų149.3 Ų49.30%0.00423%0.23CC..Hα-helixtrans-66.1-37.9173.5-176-112.8000111.8P32 V33 K252 Y369 I370 A373 F384 L479 S480 E485 F486 L487P32-Y483 PolarHBondContact O-OH 3.33Å; V33-Y483 HydrophobicContact CG2-CE2 4.36Å; V33-Y483 WeakPolarHBondContact O-CE2 3.31Å; V33-Y483 PolarHBondContact O-OH 3.3Å; K252-Y483 PolarHBondContact NZ-OH 2.83Å; Y369-Y483 AromaticContact CD2-CE1 3.92Å; Y369-Y483 HydrophobicContact CD2-CE1 3.92Å; Y369-Y483 AromaticContact CE2-CD1 3.98Å; Y369-Y483 HydrophobicContact CE2-CD1 3.98Å; Y369-Y483 AromaticContact CE2-CE1 3.7Å; Y369-Y483 HydrophobicContact CE2-CE1 3.7Å; I370-Y483 HydrophobicContact CD1-CD1 3.92Å; I370-Y483 HydrophobicContact CD1-CG 4.07Å; I370-Y483 HydrophobicContact CG1-CD1 3.76Å; I370-Y483 HydrophobicContact CG1-CE1 4.42Å; I370-Y483 HydrophobicContact CG1-CG 4.06Å; A373-Y483 HydrophobicContact CB-CD2 4.47Å; A373-Y483 HydrophobicContact CB-CE1 3.83Å; A373-Y483 HydrophobicContact CB-CE2 3.74Å; A373-Y483 WeakPolarHBondContact CB-OH 3.48Å; F384-Y483 AromaticContact CD2-CD2 3.9Å; F384-Y483 HydrophobicContact CD2-CD2 3.9Å; F384-Y483 VanDerWaalsContact CE2-CA 3.44Å; F384-Y483 HydrophobicContact CE2-CD2 4.05Å; F384-Y483 HydrophobicContact CG-CD2 4.18Å; F384-Y483 HydrophobicContact CZ-CD2 4.43Å; L479-Y483 WeakPolarHBondContact O-CB 3.34Å; L479-Y483 PolarHBondContact O-N 2.76Å; S480-Y483 PolarHBondContact O-N 3.47Å; Y483-E485 VanDerWaalsContact C-N 3.34Å; Y483-F486 AromaticContact CD2-CD1 3.94Å; Y483-F486 HydrophobicContact CD2-CD1 3.94Å; Y483-F486 AromaticContact CE2-CD1 3.78Å; Y483-F486 HydrophobicContact CE2-CD1 3.78Å; Y483-F486 HydrophobicContact CE2-CE1 4.12Å; Y483-F486 WeakPolarHBondContact O-CB 3.31Å; Y483-F486 PolarHBondContact O-N 3.46Å; Y483-L487 HydrophobicContact CD1-CD1 4.16Å; Y483-L487 HydrophobicContact CD1-CG 4.45Å; Y483-L487 HydrophobicContact CE1-CD1 3.68Å; Y483-L487 HydrophobicContact CE1-CD2 4.38Å; Y483-L487 HydrophobicContact CE1-CG 4.07Å; Y483-L487 HydrophobicContact CE2-CD2 4.35Å; Y483-L487 HydrophobicContact CE2-CG 4.47Å; Y483-L487 WeakPolarHBondContact O-CG 3.47Å; Y483-L487 PolarHBondContact O-N 3.24Å
484D89.8Confident89.4Confident12 Ų1244.4 Ų44.46%0.06421%0.209CC..Hα-helixtrans-64.9-37.4174.8-76.5-22.8000112.2R249 R253 Y369 S480 P481 W482 L487 D488R249-D484 VanDerWaalsContact CD-OD1 3.22Å; R249-D484 WeakPolarHBondContact CD-OD1 3.41Å; R249-D484 WeakPolarHBondContact CG-OD1 3.43Å; R253-D484 IonicContact CZ-OD2 3.26Å; R253-D484 IonicContact NH2-OD1 3.85Å; R253-D484 IonicContact NH2-OD2 2.86Å; R253-D484 PolarHBondContact NH2-OD2 2.81Å; Y369-D484 PolarHBondContact OH-OD1 3.39Å; S480-D484 WeakPolarHBondContact O-CB 3.37Å; S480-D484 VanDerWaalsContact O-CG 3.32Å; S480-D484 PolarHBondContact O-N 2.88Å; P481-D484 PolarHBondContact O-N 3.42Å; W482-D484 VanDerWaalsContact C-N 3.33Å; D484-L487 PolarHBondContact O-N 3.45Å; D484-D488 PolarHBondContact O-N 2.99Å
485E90.9Very high89.5Confident87 Ų8745.2 Ų45.241%0.40721%0.214SC..Hα-helixtrans-65.5-43.2173.5-175.3176.5-178.900111.9P481 W482 Y483 L487 D488 E489P481-E485 PolarHBondContact O-N 3.44Å; W482-E485 WeakPolarHBondContact CZ3-OE2 3.31Å; W482-E485 PolarHBondContact O-N 3.05Å; Y483-E485 VanDerWaalsContact C-N 3.34Å; E485-L487 VanDerWaalsContact C-N 3.29Å; E485-L487 PolarHBondContact O-N 2.99Å; E485-D488 PolarHBondContact O-N 3.31Å; E485-D488 VanDerWaalsContact O-N 3.16Å; E485-E489 PolarHBondContact O-N 3.24Å
486F92.9Very high89.4Confident18 Ų1849.8 Ų49.88%0.07924%0.238CC..Hα-helixtrans-55.8-43.2172.7167.5-105.1000112.1P383 F384 H387 W482 Y483 E489 E490P383-F486 HydrophobicContact CB-CZ 4.21Å; F384-F486 HydrophobicContact CD2-CB 3.93Å; F384-F486 HydrophobicContact CD2-CD1 4.18Å; F384-F486 AromaticContact CD2-CG 3.95Å; F384-F486 HydrophobicContact CD2-CG 3.95Å; F384-F486 HydrophobicContact CE2-CB 4.15Å; H387-F486 HydrophobicContact CB-CD2 3.66Å; H387-F486 HydrophobicContact CB-CE2 4.25Å; H387-F486 AromaticContact CG-CD2 3.71Å; W482-F486 PolarHBondContact O-N 3.43Å; Y483-F486 AromaticContact CD2-CD1 3.94Å; Y483-F486 HydrophobicContact CD2-CD1 3.94Å; Y483-F486 AromaticContact CE2-CD1 3.78Å; Y483-F486 HydrophobicContact CE2-CD1 3.78Å; Y483-F486 HydrophobicContact CE2-CE1 4.12Å; Y483-F486 WeakPolarHBondContact O-CB 3.31Å; Y483-F486 PolarHBondContact O-N 3.46Å; F486-E489 PolarHBondContact O-N 2.68Å; F486-E490 WeakPolarHBondContact O-CB 3.48Å; F486-E490 PolarHBondContact O-N 3.14Å
487L91.4Very high89.3Confident0 Ų052 Ų520%025%0.247CC..Hα-helixtrans-66.3-41175.9-68.2-176.7000112.7R249 K252 Y369 Y483 D484 E485 E490 D491R249-L487 HydrophobicContact CB-CB 4.49Å; R249-L487 HydrophobicContact CB-CD1 4.08Å; K252-L487 HydrophobicContact CD-CD1 4.24Å; Y369-L487 HydrophobicContact CE2-CD1 4.38Å; Y483-L487 HydrophobicContact CD1-CD1 4.16Å; Y483-L487 HydrophobicContact CD1-CG 4.45Å; Y483-L487 HydrophobicContact CE1-CD1 3.68Å; Y483-L487 HydrophobicContact CE1-CD2 4.38Å; Y483-L487 HydrophobicContact CE1-CG 4.07Å; Y483-L487 HydrophobicContact CE2-CD2 4.35Å; Y483-L487 HydrophobicContact CE2-CG 4.47Å; Y483-L487 WeakPolarHBondContact O-CG 3.47Å; Y483-L487 PolarHBondContact O-N 3.24Å; D484-L487 PolarHBondContact O-N 3.45Å; E485-L487 VanDerWaalsContact C-N 3.29Å; E485-L487 PolarHBondContact O-N 2.99Å; L487-E490 PolarHBondContact O-N 2.9Å; L487-D491 WeakPolarHBondContact O-CB 3.37Å; L487-D491 VanDerWaalsContact O-CG 3.24Å; L487-D491 PolarHBondContact O-N 3.05Å
488D89.1Confident89.1Confident60 Ų6045.1 Ų45.132%0.32122%0.217SC..Hα-helixtrans-67.1-37.2178.1-70.5-27.7000110.8R249 D484 E485 Y492R249-D488 IonicContact CZ-OD1 3.66Å; R249-D488 IonicContact CZ-OD2 2.64Å; R249-D488 IonicContact NE-OD1 2.92Å; R249-D488 IonicContact NH1-OD2 2.84Å; R249-D488 PolarHBondContact NH1-OD2 2.86Å; R249-D488 VanDerWaalsContact NH2-CG 3.33Å; R249-D488 IonicContact NH2-OD1 3.41Å; R249-D488 PolarHBondContact NH2-OD1 2.97Å; R249-D488 IonicContact NH2-OD2 3.2Å; R249-D488 PolarHBondContact NH2-OD2 3.41Å; D484-D488 PolarHBondContact O-N 2.99Å; E485-D488 PolarHBondContact O-N 3.31Å; E485-D488 VanDerWaalsContact O-N 3.16Å; D488-Y492 PolarHBondContact O-N 2.87Å; D488-Y492 VanDerWaalsContact O-N 3.13Å
489E89.2Confident89Confident54 Ų5441.3 Ų41.325%0.25220%0.199SC..Hα-helixtrans-64.6-43.5173-177.8177-165.600111.4H387 K390 E485 F486 Y492 W493H387-E489 IonicContact CE1-OE2 3.12Å; H387-E489 PolarHBondContact CE1-OE2 3.11Å; H387-E489 IonicContact ND1-OE2 2.72Å; H387-E489 PolarHBondContact ND1-OE2 3.38Å; K390-E489 IonicContact NZ-OE1 2.68Å; K390-E489 PolarHBondContact NZ-OE1 3.46Å; K390-E489 IonicContact NZ-OE2 3.11Å; E485-E489 PolarHBondContact O-N 3.24Å; F486-E489 PolarHBondContact O-N 2.68Å; E489-Y492 WeakPolarHBondContact O-CB 3.14Å; E489-Y492 PolarHBondContact O-N 2.98Å; E489-W493 PolarHBondContact O-N 3.27Å
490E90.5Very high88.2Confident14 Ų1445.8 Ų45.87%0.06522%0.22CC..Hα-helixtrans-63.1-45.2177.1-175178.7-95.800112G35 Q36 W67 R72 F486 L487 Y492 W493 F494G35-E490 WeakPolarHBondContact CA-OE2 3.46Å; G35-E490 PolarHBondContact N-OE2 3.08Å; Q36-E490 PolarHBondContact N-OE2 3.09Å; W67-E490 HydrophobicContact CZ2-CG 4Å; R72-E490 IonicContact CZ-OE1 2.92Å; R72-E490 IonicContact NH1-OE1 3.44Å; R72-E490 PolarHBondContact NH1-OE1 3.06Å; R72-E490 IonicContact NH2-OE1 2.7Å; R72-E490 PolarHBondContact NH2-OE1 3.22Å; R72-E490 IonicContact NH2-OE2 2.92Å; R72-E490 PolarHBondContact NH2-OE2 2.89Å; F486-E490 WeakPolarHBondContact O-CB 3.48Å; F486-E490 PolarHBondContact O-N 3.14Å; L487-E490 PolarHBondContact O-N 2.9Å; E490-Y492 VanDerWaalsContact C-N 3.26Å; E490-Y492 PolarHBondContact O-N 2.87Å; E490-W493 PolarHBondContact O-N 3.49Å; E490-F494 VanDerWaalsContact O-CB 3.27Å; E490-F494 WeakPolarHBondContact O-CB 3.48Å; E490-F494 PolarHBondContact O-N 3.1Å
491D90.9Very high86.6Confident10 Ų1051.2 Ų51.25%0.05325%0.246CC..Hα-helixtrans-57.4-41.4177.1-76.5-6.7000111.3Y246 S247 S248 L487 L495Y246-D491 HydrophobicContact CD1-CB 4.11Å; Y246-D491 HydrophobicContact CE1-CB 3.77Å; Y246-D491 VanDerWaalsContact CE1-CG 3.47Å; Y246-D491 VanDerWaalsContact CE1-OD1 3.28Å; Y246-D491 WeakPolarHBondContact CE1-OD1 3.44Å; S247-D491 VanDerWaalsContact CA-OD2 3.26Å; S247-D491 WeakPolarHBondContact CA-OD2 3.44Å; S248-D491 WeakPolarHBondContact CB-OD1 3.4Å; S248-D491 PolarHBondContact N-OD2 2.96Å; S248-D491 PolarHBondContact OG-OD1 3.31Å; S248-D491 PolarHBondContact OG-OD2 3.35Å; S248-D491 VanDerWaalsContact OG-OD2 3.09Å; L487-D491 WeakPolarHBondContact O-CB 3.37Å; L487-D491 VanDerWaalsContact O-CG 3.24Å; L487-D491 PolarHBondContact O-N 3.05Å; D491-L495 WeakPolarHBondContact O-CB 3.29Å; D491-L495 WeakPolarHBondContact O-CG 3.17Å; D491-L495 PolarHBondContact O-N 3.36Å
492Y89Confident84.6Confident140 Ų14054.4 Ų54.455%0.54925%0.252SS..Hα-helixtrans-59.9-53176.9173.1-97.3000111.9D488 E489 E490 L495 L496D488-Y492 PolarHBondContact O-N 2.87Å; D488-Y492 VanDerWaalsContact O-N 3.13Å; E489-Y492 WeakPolarHBondContact O-CB 3.14Å; E489-Y492 PolarHBondContact O-N 2.98Å; E490-Y492 VanDerWaalsContact C-N 3.26Å; E490-Y492 PolarHBondContact O-N 2.87Å; Y492-L495 PolarHBondContact O-N 3.01Å; Y492-L496 HydrophobicContact CE1-CD2 4.48Å; Y492-L496 WeakPolarHBondContact O-CB 3.2Å; Y492-L496 PolarHBondContact O-N 3.09Å
493W88.6Confident82.3Confident80 Ų8060.5 Ų60.530%0.30328%0.281SS..Hα-helixtrans-66.1-42.4179.9-69.8113.3000111.6E489 E490 L495 L496 F497E489-W493 PolarHBondContact O-N 3.27Å; E490-W493 PolarHBondContact O-N 3.49Å; W493-L495 PolarHBondContact O-N 3.31Å; W493-L496 HydrophobicContact CE3-CD2 3.66Å; W493-L496 HydrophobicContact CZ3-CD2 3.56Å; W493-L496 PolarHBondContact O-N 3.17Å; W493-F497 AromaticContact CE3-CE2 3.93Å; W493-F497 HydrophobicContact CE3-CE2 3.93Å; W493-F497 VanDerWaalsContact O-CD2 3.27Å; W493-F497 WeakPolarHBondContact O-CD2 3.41Å; W493-F497 PolarHBondContact O-N 2.84Å; W493-F497 VanDerWaalsContact O-N 3.09Å
494F90.1Very high80Confident0 Ų065.3 Ų65.30%031%0.305CS..Hα-helixtrans-55.6-51.5177.5171.9-102.2000111.5Q36 L49 I53 L64 W67 Y246 E490 L496 F497 T498Q36-F494 HydrophobicContact CB-CD2 4.47Å; Q36-F494 HydrophobicContact CG-CD2 3.9Å; Q36-F494 HydrophobicContact CG-CE1 4.34Å; Q36-F494 HydrophobicContact CG-CE2 3.69Å; Q36-F494 HydrophobicContact CG-CG 4.31Å; Q36-F494 HydrophobicContact CG-CZ 3.94Å; Q36-F494 VanDerWaalsContact NE2-CZ 3.28Å; L49-F494 HydrophobicContact CD1-CZ 4.22Å; I53-F494 HydrophobicContact CD1-CE1 4.35Å; I53-F494 HydrophobicContact CD1-CZ 4Å; I53-F494 HydrophobicContact CG1-CE1 3.95Å; I53-F494 HydrophobicContact CG1-CZ 3.97Å; L64-F494 HydrophobicContact CD1-CE2 3.86Å; W67-F494 AromaticContact CD2-CD2 4Å; W67-F494 HydrophobicContact CD2-CD2 4Å; W67-F494 HydrophobicContact CE3-CD2 4.05Å; W67-F494 HydrophobicContact CH2-CD2 4.08Å; W67-F494 HydrophobicContact CZ2-CB 4.02Å; W67-F494 HydrophobicContact CZ2-CD2 4.08Å; W67-F494 HydrophobicContact CZ2-CG 4.49Å; W67-F494 HydrophobicContact CZ3-CD2 4.09Å; Y246-F494 AromaticContact CE1-CD1 3.83Å; Y246-F494 HydrophobicContact CE1-CD1 3.83Å; Y246-F494 HydrophobicContact CE1-CE1 4.32Å; Y246-F494 HydrophobicContact CE2-CD1 4.07Å; Y246-F494 AromaticContact CE2-CE1 3.72Å; Y246-F494 HydrophobicContact CE2-CE1 3.72Å; Y246-F494 AromaticContact CZ-CD1 3.44Å; Y246-F494 VanDerWaalsContact CZ-CD1 3.44Å; Y246-F494 AromaticContact CZ-CE1 3.57Å; Y246-F494 WeakPolarHBondContact OH-CD1 3.42Å; Y246-F494 WeakPolarHBondContact OH-CE1 3.28Å; E490-F494 VanDerWaalsContact O-CB 3.27Å; E490-F494 WeakPolarHBondContact O-CB 3.48Å; E490-F494 PolarHBondContact O-N 3.1Å; F494-L496 PolarHBondContact O-N 3.21Å; F494-F497 PolarHBondContact O-N 3.2Å; F494-T498 HydrophobicContact CD2-CG2 3.71Å; F494-T498 HydrophobicContact CE2-CG2 3.48Å; F494-T498 VanDerWaalsContact CE2-CG2 3.48Å; F494-T498 HydrophobicContact CG-CG2 4.45Å; F494-T498 HydrophobicContact CZ-CG2 4.08Å; F494-T498 VanDerWaalsContact O-CB 3.31Å; F494-T498 WeakPolarHBondContact O-CB 3.44Å; F494-T498 VanDerWaalsContact O-CG2 3.26Å; F494-T498 WeakPolarHBondContact O-CG2 3.45Å; F494-T498 PolarHBondContact O-N 2.95Å; F494-T498 PolarHBondContact O-OG1 3.3Å
495L87.1Confident77.5Confident40 Ų4070.7 Ų70.721%0.20934%0.344CS..Hα-helixtrans-64.1-39.8179.2-70.2174.4000112.3L57 Y246 D491 Y492 W493 F497 T499L57-L495 HydrophobicContact CD1-CD2 3.99Å; Y246-L495 HydrophobicContact CD1-CD1 3.73Å; Y246-L495 HydrophobicContact CD1-CD2 3.94Å; Y246-L495 HydrophobicContact CD1-CG 3.83Å; Y246-L495 HydrophobicContact CD2-CD2 4.3Å; Y246-L495 HydrophobicContact CE1-CD2 4.43Å; Y246-L495 HydrophobicContact CE1-CG 4.25Å; Y246-L495 HydrophobicContact CG-CD1 4.16Å; Y246-L495 HydrophobicContact CG-CD2 3.86Å; Y246-L495 HydrophobicContact CG-CG 4.25Å; D491-L495 WeakPolarHBondContact O-CB 3.29Å; D491-L495 WeakPolarHBondContact O-CG 3.17Å; D491-L495 PolarHBondContact O-N 3.36Å; Y492-L495 PolarHBondContact O-N 3.01Å; W493-L495 PolarHBondContact O-N 3.31Å; L495-F497 VanDerWaalsContact C-N 3.33Å; L495-F497 PolarHBondContact O-N 3.1Å; L495-T499 HydrophobicContact CD2-CG2 4.08Å; L495-T499 WeakPolarHBondContact O-CB 3.18Å; L495-T499 PolarHBondContact O-N 3.23Å; L495-T499 VanDerWaalsContact O-N 3.11Å; L495-T499 PolarHBondContact O-OG1 2.88Å
496L86.6Confident74.9Confident96 Ų9670.1 Ų70.150%0.50335%0.349SS..Hα-helixtrans-58.8-44.1179.8-176.468.5000112.1Y492 W493 F494Y492-L496 HydrophobicContact CE1-CD2 4.48Å; Y492-L496 WeakPolarHBondContact O-CB 3.2Å; Y492-L496 PolarHBondContact O-N 3.09Å; W493-L496 HydrophobicContact CE3-CD2 3.66Å; W493-L496 HydrophobicContact CZ3-CD2 3.56Å; W493-L496 PolarHBondContact O-N 3.17Å; F494-L496 PolarHBondContact O-N 3.21Å
497F84.8Confident72.4Confident51 Ų5180.5 Ų80.522%0.22439%0.388CS..Hα-helixtrans-79.3-42.2-179.6-80.5-82.3000112.5G63 T66 W67 K70 H71 W493 F494 L495G63-F497 VanDerWaalsContact CA-O 3.24Å; G63-F497 WeakPolarHBondContact CA-O 3.49Å; T66-F497 HydrophobicContact CG2-CD1 4.1Å; T66-F497 HydrophobicContact CG2-CE1 3.98Å; W67-F497 HydrophobicContact CB-CB 3.77Å; W67-F497 HydrophobicContact CB-CD2 4.46Å; W67-F497 HydrophobicContact CB-CG 4.12Å; W67-F497 AromaticContact CD1-CD2 3.9Å; W67-F497 HydrophobicContact CG-CB 4.38Å; K70-F497 HydrophobicContact CD-CZ 4.08Å; H71-F497 AromaticContact NE2-CE2 3.85Å; W493-F497 AromaticContact CE3-CE2 3.93Å; W493-F497 HydrophobicContact CE3-CE2 3.93Å; W493-F497 VanDerWaalsContact O-CD2 3.27Å; W493-F497 WeakPolarHBondContact O-CD2 3.41Å; W493-F497 PolarHBondContact O-N 2.84Å; W493-F497 VanDerWaalsContact O-N 3.09Å; F494-F497 PolarHBondContact O-N 3.2Å; L495-F497 VanDerWaalsContact C-N 3.33Å; L495-F497 PolarHBondContact O-N 3.1Å
498T84Confident69.7Low0 Ų089.4 Ų89.40%043%0.43CS..Hα-helixtrans-89.3-9-167.364.70000114.7A59 K60 L64 F494A59-T498 CarbonylContact C-O 3.51Å; A59-T498 WeakPolarHBondContact CA-O 3.5Å; K60-T498 PolarHBondContact N-O 3.38Å; L64-T498 HydrophobicContact CB-CG2 3.93Å; L64-T498 HydrophobicContact CD1-CG2 3.96Å; F494-T498 HydrophobicContact CD2-CG2 3.71Å; F494-T498 HydrophobicContact CE2-CG2 3.48Å; F494-T498 VanDerWaalsContact CE2-CG2 3.48Å; F494-T498 HydrophobicContact CG-CG2 4.45Å; F494-T498 HydrophobicContact CZ-CG2 4.08Å; F494-T498 VanDerWaalsContact O-CB 3.31Å; F494-T498 WeakPolarHBondContact O-CB 3.44Å; F494-T498 VanDerWaalsContact O-CG2 3.26Å; F494-T498 WeakPolarHBondContact O-CG2 3.45Å; F494-T498 PolarHBondContact O-N 2.95Å; F494-T498 PolarHBondContact O-OG1 3.3Å
499T83.6Confident67.2Low15 Ų1595.4 Ų95.49%0.09246%0.455CS..EExtended strand (participates in β ladder)trans-121.5165.9-17572.30000114.4I53 L57 I58 K60 L495I53-T499 HydrophobicContact CD1-CG2 4.5Å; I53-T499 HydrophobicContact CG2-CG2 3.89Å; L57-T499 HydrophobicContact CB-CG2 3.87Å; L57-T499 HydrophobicContact CD1-CG2 3.96Å; L57-T499 HydrophobicContact CG-CG2 4.45Å; I58-T499 WeakPolarHBondContact O-CA 3.49Å; K60-T499 PolarHBondContact NZ-O 2.93Å; L495-T499 HydrophobicContact CD2-CG2 4.08Å; L495-T499 WeakPolarHBondContact O-CB 3.18Å; L495-T499 PolarHBondContact O-N 3.23Å; L495-T499 VanDerWaalsContact O-N 3.11Å; L495-T499 PolarHBondContact O-OG1 2.88Å
500Q73.3Confident64.8Low94 Ų94102.6 Ų102.644%0.43949%0.486SS..EExtended strand (participates in β ladder)trans-129.3127.7173.3-132.1162.530.300108.6I58 K502I58-Q500 HydrophobicContact CB-CB 4.43Å; I58-Q500 PolarHBondContact O-N 3.47Å; Q500-K502 VanDerWaalsContact C-N 3.34Å; Q500-K502 PolarHBondContact O-N 3.33Å
501N54.9Low62.3Low151 Ų151111.4 Ų111.481%0.80752%0.518SS*.  trans-72.586.4174.6-83.3-11.2000110.3
502K48.7Very low59.7Low147 Ų147117.7 Ų117.764%0.63955%0.548SS*.  trans-132.5113159.1-80.1-170.8175.8-178.90108.8I58 Q500 I504I58-K502 HydrophobicContact CD1-CB 4.21Å; Q500-K502 VanDerWaalsContact C-N 3.34Å; Q500-K502 PolarHBondContact O-N 3.33Å; K502-I504 PolarHBondContact O-N 2.83Å
503F40.9Very low57.6Low201 Ų201119 Ų11988%0.88256%0.557SS**  trans-63114.4173.1-87.7-93.7000109.5
504I43.1Very low55.8Low101 Ų101118.5 Ų118.552%0.51856%0.559SS.*  trans-108.3108.8163.5-59.9175.1000106.3I58 K502 S506I58-I504 HydrophobicContact CD1-CD1 4.06Å; I58-I504 HydrophobicContact CG1-CD1 4.42Å; K502-I504 PolarHBondContact O-N 2.83Å; I504-S506 PolarHBondContact O-N 3.06Å; I504-S506 VanDerWaalsContact O-N 3.08Å
505S37.2Very low54.2Low126 Ų126120 Ų12088%0.88157%0.574SS**  trans-74.490.6170.259.30000108.9
506S37.9Very low53.1Low74 Ų74125 Ų12552%0.51759%0.594SS.*PPolyproline II helixtrans-101.5139.2170.5560000111I504I504-S506 PolarHBondContact O-N 3.06Å; I504-S506 VanDerWaalsContact O-N 3.08Å
507R38.8Very low52.1Low237 Ų237127.3 Ų127.389%0.89460%0.602SS**PPolyproline II helixtrans-63.9142.9-173.3-73177.2173.8179-2.5111.7H509R507-H509 PolarHBondContact O-N 2.87Å
508Q36.2Very low51.3Low187 Ų187130.2 Ų130.287%0.87462%0.617SS**PPolyproline II helixtrans-56120.9177.5-71171.8-12.300112
509H36Very low50.8Low185 Ų185130.9 Ų130.986%0.85662%0.62SS**  trans-111147.6157.3-78.5-31.1000110.4R507R507-H509 PolarHBondContact O-N 2.87Å
510K38.2Very low50.3Low206 Ų206132.5 Ų132.590%0.89663%0.628SS**  trans-55.4144.8-164.9-83.3176.2171.9176.50112.7E512K510-E512 PolarHBondContact O-N 3.35Å
511R39.4Very low50.4Low198 Ų198130.5 Ų130.575%0.74762%0.62SS**  trans-47.2113.5172.7-81.5178.7-178.5165.31.3111.8F513R511-F513 HydrophobicContact CB-CE2 4.45Å
512E35.3Very low51.4Low143 Ų143124 Ų12467%0.66859%0.585SS**  trans-91.7125.8147-78.9175.6168.400107.5H241 K510H241-E512 PolarHBondContact ND1-O 2.96Å; K510-E512 PolarHBondContact O-N 3.35Å
513F44.1Very low52.9Low168 Ų168119 Ų11974%0.73756%0.563SS**  trans-81.4135169-76.1-96.5000106.9R511 G515R511-F513 HydrophobicContact CB-CE2 4.45Å; F513-G515 PolarHBondContact O-N 2.93Å; F513-G515 VanDerWaalsContact O-N 3.13Å
514I51.7Low54.7Low69 Ų69113.4 Ų113.435%0.35454%0.538SS..  trans-43.8124.3165.3-64.1170.8000107.5K516 E518 N519I514-K516 PolarHBondContact O-N 3.11Å; I514-E518 HydrophobicContact CG2-CB 4.01Å; I514-N519 WeakPolarHBondContact CG2-ND2 3.45Å
515G56.8Low56.5Low31 Ų31110.3 Ų110.332%0.3252%0.52SS..  trans-57134.2177.200000108.5F513 E517 E518 N519F513-G515 PolarHBondContact O-N 2.93Å; F513-G515 VanDerWaalsContact O-N 3.13Å; G515-E517 PolarHBondContact O-N 3.21Å; G515-E518 PolarHBondContact O-N 3.33Å; G515-N519 PolarHBondContact O-N 3.23Å
516K63.3Low58.7Low144 Ų144104.6 Ų104.663%0.62648%0.479SS*.Hα-helixtrans-49.5-30.7171.8-71.3-175.9176.1-173.50111.1I514 I520I514-K516 PolarHBondContact O-N 3.11Å; K516-I520 WeakPolarHBondContact O-CD1 3.44Å; K516-I520 WeakPolarHBondContact O-CG1 3.28Å; K516-I520 PolarHBondContact O-N 3.09Å; K516-I520 VanDerWaalsContact O-N 3.14Å
517E65.8Low60.7Low145 Ų145103.7 Ų103.768%0.67847%0.467SS*.Hα-helixtrans-62.2-42.6176-65.3174.1-177.100113.8G515 I520 L521G515-E517 PolarHBondContact O-N 3.21Å; E517-I520 PolarHBondContact O-N 3.32Å; E517-L521 WeakPolarHBondContact O-CG 3.35Å; E517-L521 PolarHBondContact O-N 3.05Å
518E68.8Low62.6Low113 Ų11396 Ų9653%0.52844%0.441SS..Hα-helixtrans-68.5-40.6179.9-68.3172.3163.200111.9I514 G515 I520 L521 L522I514-E518 HydrophobicContact CG2-CB 4.01Å; G515-E518 PolarHBondContact O-N 3.33Å; E518-I520 VanDerWaalsContact C-N 3.3Å; E518-I520 PolarHBondContact O-N 2.83Å; E518-L521 PolarHBondContact O-N 3.32Å; E518-L522 WeakPolarHBondContact O-CB 3.44Å; E518-L522 PolarHBondContact O-N 3.47Å
519N72.4Confident64.7Low13 Ų1387.1 Ų87.17%0.0740%0.399CS..Hα-helixtrans-65.3-34.6174-74.9-49.7000112.1I514 G515 Y523I514-N519 WeakPolarHBondContact CG2-ND2 3.45Å; G515-N519 PolarHBondContact O-N 3.23Å; N519-Y523 WeakPolarHBondContact O-CB 3.28Å; N519-Y523 PolarHBondContact O-N 2.87Å
520I73.6Confident67Low49 Ų4978.6 Ų78.625%0.25136%0.36SS..Hα-helixtrans-67.6-43.1175-70.8163.7000110.5W264 K516 E517 E518 Y523 K524W264-I520 HydrophobicContact CZ2-CD1 4.22Å; K516-I520 WeakPolarHBondContact O-CD1 3.44Å; K516-I520 WeakPolarHBondContact O-CG1 3.28Å; K516-I520 PolarHBondContact O-N 3.09Å; K516-I520 VanDerWaalsContact O-N 3.14Å; E517-I520 PolarHBondContact O-N 3.32Å; E518-I520 VanDerWaalsContact C-N 3.3Å; E518-I520 PolarHBondContact O-N 2.83Å; I520-Y523 PolarHBondContact O-N 3Å; I520-K524 HydrophobicContact CG2-CD 4.38Å; I520-K524 WeakPolarHBondContact O-CG 3.13Å; I520-K524 PolarHBondContact O-N 3.29Å
521L75.1Confident68.9Low53 Ų5373 Ų7328%0.27734%0.337SS..Hα-helixtrans-62.8-44.9176.6-75.1171000111.5E517 E518 K524 R525 V563 L565E517-L521 WeakPolarHBondContact O-CG 3.35Å; E517-L521 PolarHBondContact O-N 3.05Å; E518-L521 PolarHBondContact O-N 3.32Å; L521-K524 PolarHBondContact O-N 3.18Å; L521-R525 PolarHBondContact O-N 2.77Å; L521-V563 HydrophobicContact CD2-CB 4.28Å; L521-V563 HydrophobicContact CD2-CG1 3.87Å; L521-L565 HydrophobicContact CD1-CD1 3.96Å; L521-L565 HydrophobicContact CD2-CD1 3.73Å; L521-L565 HydrophobicContact CG-CD1 4.1Å
522L76.3Confident70.5Confident15 Ų1565.8 Ų65.88%0.07931%0.313CS..Hα-helixtrans-60.4-46.1175.6177.867.8000112W50 M255 E518 K524 R525 I526W50-L522 HydrophobicContact CB-CD1 4.5Å; W50-L522 HydrophobicContact CB-CD2 4.29Å; W50-L522 HydrophobicContact CD2-CD2 3.22Å; W50-L522 HydrophobicContact CD2-CG 4.48Å; W50-L522 HydrophobicContact CE3-CD2 3.76Å; W50-L522 HydrophobicContact CG-CD1 4.47Å; W50-L522 HydrophobicContact CG-CD2 3.45Å; W50-L522 VanDerWaalsContact CG-CD2 3.45Å; W50-L522 HydrophobicContact CH2-CD2 4.14Å; W50-L522 HydrophobicContact CZ2-CD2 3.67Å; W50-L522 HydrophobicContact CZ3-CD2 4.19Å; M255-L522 HydrophobicContact SD-CD2 3.68Å; M255-L522 HydrophobicContact SD-CG 4.04Å; E518-L522 WeakPolarHBondContact O-CB 3.44Å; E518-L522 PolarHBondContact O-N 3.47Å; L522-K524 VanDerWaalsContact C-N 3.35Å; L522-K524 PolarHBondContact O-N 3.15Å; L522-R525 WeakPolarHBondContact O-CB 2.83Å; L522-R525 PolarHBondContact O-N 3.07Å; L522-R525 VanDerWaalsContact O-N 3.14Å; L522-I526 HydrophobicContact CD1-CD1 4.28Å; L522-I526 HydrophobicContact CG-CD1 4.04Å; L522-I526 WeakPolarHBondContact O-CG1 3.47Å; L522-I526 PolarHBondContact O-N 2.8Å
523Y80Confident72.5Confident41 Ų4159.1 Ų59.116%0.16128%0.282CS..Hα-helixtrans-59.2-46.8176.7170-100.9000111.7W256 V259 L372 N519 I520 R525 I526 Q527W256-Y523 HydrophobicContact CE3-CE2 4.3Å; W256-Y523 HydrophobicContact CH2-CE2 4.04Å; W256-Y523 HydrophobicContact CZ3-CD2 4.22Å; W256-Y523 AromaticContact CZ3-CE2 3.55Å; W256-Y523 HydrophobicContact CZ3-CE2 3.55Å; V259-Y523 HydrophobicContact CG1-CD1 3.68Å; V259-Y523 HydrophobicContact CG1-CD2 3.94Å; V259-Y523 HydrophobicContact CG1-CE1 3.69Å; V259-Y523 HydrophobicContact CG1-CE2 3.96Å; V259-Y523 HydrophobicContact CG1-CG 3.78Å; V259-Y523 HydrophobicContact CG2-CG 4.22Å; L372-Y523 HydrophobicContact CD1-CE2 4.34Å; N519-Y523 WeakPolarHBondContact O-CB 3.28Å; N519-Y523 PolarHBondContact O-N 2.87Å; I520-Y523 PolarHBondContact O-N 3Å; Y523-R525 VanDerWaalsContact C-N 3.27Å; Y523-R525 PolarHBondContact O-N 3.04Å; Y523-I526 PolarHBondContact O-N 3.07Å; Y523-Q527 PolarHBondContact O-N 3.24Å; Y523-Q527 PolarHBondContact OH-OE1 2.77Å
524K78.4Confident74.1Confident84 Ų8453.1 Ų53.137%0.36526%0.256SS..Hα-helixtrans-58.4-40.9175-75.4178.3178-176.30111.1I520 L521 L522 Q527 H528 V563I520-K524 HydrophobicContact CG2-CD 4.38Å; I520-K524 WeakPolarHBondContact O-CG 3.13Å; I520-K524 PolarHBondContact O-N 3.29Å; L521-K524 PolarHBondContact O-N 3.18Å; L522-K524 VanDerWaalsContact C-N 3.35Å; L522-K524 PolarHBondContact O-N 3.15Å; K524-Q527 PolarHBondContact O-N 3.19Å; K524-H528 WeakPolarHBondContact O-CB 3.42Å; K524-H528 PolarHBondContact O-CD2 2.86Å; K524-H528 PolarHBondContact O-N 3.28Å; K524-V563 HydrophobicContact CB-CB 4.29Å; K524-V563 HydrophobicContact CB-CG1 3.44Å; K524-V563 VanDerWaalsContact CB-CG1 3.44Å; K524-V563 HydrophobicContact CB-CG2 3.87Å; K524-V563 HydrophobicContact CD-CG1 3.41Å; K524-V563 VanDerWaalsContact CD-CG1 3.41Å; K524-V563 HydrophobicContact CG-CG1 4.09Å
525R81.9Confident74.9Confident36 Ų3650.9 Ų50.914%0.13625%0.248CC..Hα-helixtrans-62.5-46.6179-175.117870.1-173.83.6111.4L521 L522 Y523 Q527 H528 S529 L561 V563L521-R525 PolarHBondContact O-N 2.77Å; L522-R525 WeakPolarHBondContact O-CB 2.83Å; L522-R525 PolarHBondContact O-N 3.07Å; L522-R525 VanDerWaalsContact O-N 3.14Å; Y523-R525 VanDerWaalsContact C-N 3.27Å; Y523-R525 PolarHBondContact O-N 3.04Å; R525-Q527 VanDerWaalsContact C-N 3.29Å; R525-Q527 PolarHBondContact O-N 2.86Å; R525-H528 PolarHBondContact O-N 3.48Å; R525-S529 WeakPolarHBondContact O-CB 3.33Å; R525-S529 PolarHBondContact O-N 2.92Å; R525-L561 HydrophobicContact CG-CB 4.09Å; R525-L561 HydrophobicContact CG-CD1 4.1Å; R525-L561 HydrophobicContact CG-CD2 4.28Å; R525-L561 HydrophobicContact CG-CG 4.41Å; R525-V563 HydrophobicContact CB-CG2 3.84Å
526I82.5Confident75.4Confident6 Ų652.1 Ų52.13%0.03125%0.247CC..Hα-helixtrans-60.4-42176.5-68.8169000110.7P32 M255 L522 Y523 L530P32-I526 HydrophobicContact CB-CG2 3.52Å; P32-I526 HydrophobicContact CG-CG2 3.84Å; M255-I526 HydrophobicContact CE-CD1 3.82Å; M255-I526 HydrophobicContact SD-CD1 4.06Å; L522-I526 HydrophobicContact CD1-CD1 4.28Å; L522-I526 HydrophobicContact CG-CD1 4.04Å; L522-I526 WeakPolarHBondContact O-CG1 3.47Å; L522-I526 PolarHBondContact O-N 2.8Å; Y523-I526 PolarHBondContact O-N 3.07Å; I526-L530 PolarHBondContact O-N 2.71Å; I526-L530 VanDerWaalsContact O-N 3.14Å
527Q80.1Confident75.5Confident55 Ų5546.7 Ų46.726%0.25723%0.229SC..Hα-helixtrans-67.6-45.2178-179.8158.5-1.800112.2Y523 K524 R525 S529 L530 E531Y523-Q527 PolarHBondContact O-N 3.24Å; Y523-Q527 PolarHBondContact OH-OE1 2.77Å; K524-Q527 PolarHBondContact O-N 3.19Å; R525-Q527 VanDerWaalsContact C-N 3.29Å; R525-Q527 PolarHBondContact O-N 2.86Å; Q527-S529 PolarHBondContact O-N 3.37Å; Q527-L530 PolarHBondContact O-N 3.46Å; Q527-E531 HydrophobicContact CG-CG 4.4Å; Q527-E531 WeakPolarHBondContact CG-OE1 3.38Å; Q527-E531 PolarHBondContact NE2-OE1 3.25Å; Q527-E531 WeakPolarHBondContact O-CG 2.97Å; Q527-E531 PolarHBondContact O-N 3.49Å
528H77.4Confident75.3Confident75 Ų7542.4 Ų42.435%0.34721%0.211SC..Hα-helixtrans-61.7-42.5176.5-81.5-66.9000112.1K524 R525 L530 E531 L532K524-H528 WeakPolarHBondContact O-CB 3.42Å; K524-H528 PolarHBondContact O-CD2 2.86Å; K524-H528 PolarHBondContact O-N 3.28Å; R525-H528 PolarHBondContact O-N 3.48Å; H528-L530 VanDerWaalsContact C-N 3.33Å; H528-L530 PolarHBondContact O-N 3.35Å; H528-E531 PolarHBondContact O-N 3.26Å; H528-L532 WeakPolarHBondContact O-CB 3.35Å; H528-L532 WeakPolarHBondContact O-CG 3.43Å; H528-L532 PolarHBondContact O-N 2.89Å
529S81.4Confident74.6Confident0 Ų044 Ų440%022%0.22CC..Hα-helixtrans-55.5-46.7173.3160.40000112.1T27 L31 R525 Q527 S533T27-S529 PolarHBondContact O-OG 3.29Å; L31-S529 WeakPolarHBondContact CD2-OG 3.19Å; R525-S529 WeakPolarHBondContact O-CB 3.33Å; R525-S529 PolarHBondContact O-N 2.92Å; Q527-S529 PolarHBondContact O-N 3.37Å; S529-S533 WeakPolarHBondContact O-CB 3.48Å; S529-S533 PolarHBondContact O-N 3.48Å; S529-S533 PolarHBondContact O-OG 3.16Å
530L83.4Confident73.7Confident7 Ų749 Ų494%0.03724%0.241CC..Hα-helixtrans-65.3-45.3177.7178.358.1000111.8P32 L372 C375 A376 Y379 I526 Q527 H528 L532 S533 Q534P32-L530 HydrophobicContact CG-CB 4.42Å; P32-L530 HydrophobicContact CG-CD2 4.16Å; L372-L530 HydrophobicContact CD2-CD2 3.94Å; C375-L530 HydrophobicContact CB-CD1 4.19Å; C375-L530 HydrophobicContact CB-CD2 3.79Å; A376-L530 HydrophobicContact CB-CD1 3.92Å; Y379-L530 HydrophobicContact CD2-CD1 4.19Å; I526-L530 PolarHBondContact O-N 2.71Å; I526-L530 VanDerWaalsContact O-N 3.14Å; Q527-L530 PolarHBondContact O-N 3.46Å; H528-L530 VanDerWaalsContact C-N 3.33Å; H528-L530 PolarHBondContact O-N 3.35Å; L530-L532 PolarHBondContact O-N 3.47Å; L530-S533 PolarHBondContact O-N 2.74Å; L530-Q534 HydrophobicContact CD1-CG 4.1Å; L530-Q534 HydrophobicContact CG-CG 4.49Å; L530-Q534 WeakPolarHBondContact O-CB 3.33Å; L530-Q534 VanDerWaalsContact O-CG 3.25Å; L530-Q534 WeakPolarHBondContact O-CG 3.41Å; L530-Q534 PolarHBondContact O-N 3.14Å
531E78.6Confident72.5Confident89 Ų8953.6 Ų53.642%0.41626%0.262SS..Hα-helixtrans-62-42.3179.2-73.9175.1-172.100112.1Q527 H528 Q534 A535Q527-E531 HydrophobicContact CG-CG 4.4Å; Q527-E531 WeakPolarHBondContact CG-OE1 3.38Å; Q527-E531 PolarHBondContact NE2-OE1 3.25Å; Q527-E531 WeakPolarHBondContact O-CG 2.97Å; Q527-E531 PolarHBondContact O-N 3.49Å; H528-E531 PolarHBondContact O-N 3.26Å; E531-Q534 PolarHBondContact O-N 3.13Å; E531-A535 WeakPolarHBondContact O-CB 3.36Å; E531-A535 PolarHBondContact O-N 3.38Å
532L74.4Confident71.2Confident46 Ų4653.5 Ų53.524%0.24126%0.261CS..Hα-helixtrans-63.9-46.8175.7-73.5170.9000111.4H528 L530 Q534 A535 L536H528-L532 WeakPolarHBondContact O-CB 3.35Å; H528-L532 WeakPolarHBondContact O-CG 3.43Å; H528-L532 PolarHBondContact O-N 2.89Å; L530-L532 PolarHBondContact O-N 3.47Å; L532-Q534 VanDerWaalsContact C-N 3.29Å; L532-Q534 PolarHBondContact O-N 3.21Å; L532-A535 PolarHBondContact O-N 2.92Å; L532-L536 WeakPolarHBondContact O-CB 3.46Å; L532-L536 WeakPolarHBondContact O-CG 3.4Å; L532-L536 PolarHBondContact O-N 3.07Å
533S76.6Confident69.9Low3 Ų357.7 Ų57.72%0.02128%0.283CS..Hα-helixtrans-62.2-38.3178.8-560000112.1S529 L530 A537S529-S533 WeakPolarHBondContact O-CB 3.48Å; S529-S533 PolarHBondContact O-N 3.48Å; S529-S533 PolarHBondContact O-OG 3.16Å; L530-S533 PolarHBondContact O-N 2.74Å; S533-A537 WeakPolarHBondContact O-CB 3.45Å; S533-A537 PolarHBondContact O-N 3.27Å
534Q76.7Confident68.1Low41 Ų4163.5 Ų63.519%0.19231%0.306CS..Hα-helixtrans-66.9-46.8174.2-75.9176.7-13.200111.9Y379 L530 E531 L532 L536 A537 D538Y379-Q534 HydrophobicContact CD2-CG 4.05Å; Y379-Q534 HydrophobicContact CE1-CG 4.33Å; Y379-Q534 HydrophobicContact CE2-CG 3.47Å; Y379-Q534 VanDerWaalsContact CE2-CG 3.47Å; L530-Q534 HydrophobicContact CD1-CG 4.1Å; L530-Q534 HydrophobicContact CG-CG 4.49Å; L530-Q534 WeakPolarHBondContact O-CB 3.33Å; L530-Q534 VanDerWaalsContact O-CG 3.25Å; L530-Q534 WeakPolarHBondContact O-CG 3.41Å; L530-Q534 PolarHBondContact O-N 3.14Å; E531-Q534 PolarHBondContact O-N 3.13Å; L532-Q534 VanDerWaalsContact C-N 3.29Å; L532-Q534 PolarHBondContact O-N 3.21Å; Q534-L536 VanDerWaalsContact C-N 3.31Å; Q534-L536 PolarHBondContact O-N 3.5Å; Q534-A537 PolarHBondContact O-N 3.4Å; Q534-D538 WeakPolarHBondContact O-CB 3.36Å; Q534-D538 PolarHBondContact O-N 2.95Å
535A69.7Low66.5Low22 Ų2264.4 Ų64.418%0.18231%0.312CS..Hα-helixtrans-60.9-41.318000000112.2E531 L532 A537 D538 M539 K540E531-A535 WeakPolarHBondContact O-CB 3.36Å; E531-A535 PolarHBondContact O-N 3.38Å; L532-A535 PolarHBondContact O-N 2.92Å; A535-A537 VanDerWaalsContact C-N 3.34Å; A535-D538 PolarHBondContact O-N 3.42Å; A535-M539 PolarHBondContact O-N 3.21Å; A535-K540 PolarHBondContact O-N 3.3Å
536L66.7Low65Low58 Ų5866.7 Ų66.730%0.30433%0.325SS..Hα-helixtrans-68.2-30.6177.6-74.2175.2000113.3L81 H84 L532 Q534L81-L536 HydrophobicContact CD2-CD1 3.52Å; H84-L536 PolarHBondContact NE2-O 3.46Å; L532-L536 WeakPolarHBondContact O-CB 3.46Å; L532-L536 WeakPolarHBondContact O-CG 3.4Å; L532-L536 PolarHBondContact O-N 3.07Å; Q534-L536 VanDerWaalsContact C-N 3.31Å; Q534-L536 PolarHBondContact O-N 3.5Å
537A66.3Low63.3Low29 Ų2973.9 Ų73.924%0.2435%0.351CS..Hα-helixtrans-78.7-39.5175.700000112.5N80 Y379 S533 Q534 A535 M539N80-A537 WeakPolarHBondContact ND2-CB 3.46Å; Y379-A537 HydrophobicContact CD1-CB 3.76Å; Y379-A537 HydrophobicContact CE1-CB 3.4Å; S533-A537 WeakPolarHBondContact O-CB 3.45Å; S533-A537 PolarHBondContact O-N 3.27Å; Q534-A537 PolarHBondContact O-N 3.4Å; A535-A537 VanDerWaalsContact C-N 3.34Å; A537-M539 VanDerWaalsContact C-N 3.27Å; A537-M539 PolarHBondContact O-N 2.99Å
538D61Low61.4Low56 Ų5674.2 Ų74.230%0.29935%0.35SS..THydrogen-bonded Turntrans-83.31.5-177.1-73.1-3.9000113S411 Q534 A535 K540S411-D538 PolarHBondContact OG-OD2 3.04Å; S411-D538 VanDerWaalsContact OG-OD2 3.09Å; Q534-D538 WeakPolarHBondContact O-CB 3.36Å; Q534-D538 PolarHBondContact O-N 2.95Å; A535-D538 PolarHBondContact O-N 3.42Å; D538-K540 PolarHBondContact O-N 3.02Å; D538-K540 VanDerWaalsContact O-N 3.14Å
539M54.7Low60.3Low147 Ų14775.2 Ų75.272%0.72435%0.354SS*.THydrogen-bonded Turntrans48.539.4-176.6-66.1-90.8-78.200112A535 A537 E541A535-M539 PolarHBondContact O-N 3.21Å; A537-M539 VanDerWaalsContact C-N 3.27Å; A537-M539 PolarHBondContact O-N 2.99Å; M539-E541 PolarHBondContact O-N 3.35Å
540K53.2Low58.8Low116 Ų11678.6 Ų78.650%0.50437%0.371SS..PPolyproline II helixtrans-74.3126.9-172.9-169.7175.6-179.2176.90109.9A535 D538 M542A535-K540 PolarHBondContact O-N 3.3Å; D538-K540 PolarHBondContact O-N 3.02Å; D538-K540 VanDerWaalsContact O-N 3.14Å; K540-M542 PolarHBondContact O-N 2.67Å; K540-M542 VanDerWaalsContact O-N 3.13Å
541E48Very low56.6Low146 Ų14682.3 Ų82.368%0.68240%0.403SS*.PPolyproline II helixtrans-53.1120.9172-75177.4164.600110.3K417 M539K417-E541 IonicContact NZ-OE2 3.67Å; K417-E541 PolarHBondContact NZ-OE2 3.47Å; M539-E541 PolarHBondContact O-N 3.35Å
542M47.3Very low55Low52 Ų5280.8 Ų80.826%0.25640%0.4SS..PPolyproline II helixtrans-76.3129.9176.9-68.6-68.2-87.800109.5K540 Q546 W547 I550K540-M542 PolarHBondContact O-N 2.67Å; K540-M542 VanDerWaalsContact O-N 3.13Å; M542-Q546 HydrophobicContact CB-CB 4.49Å; M542-Q546 HydrophobicContact CE-CB 3.7Å; M542-Q546 HydrophobicContact CE-CG 4.48Å; M542-Q546 HydrophobicContact SD-CB 4.36Å; M542-W547 HydrophobicContact CB-CD2 4.41Å; M542-W547 HydrophobicContact CB-CG 4.46Å; M542-W547 HydrophobicContact CB-CZ2 4.21Å; M542-W547 VanDerWaalsContact O-CD1 3.31Å; M542-W547 PolarHBondContact O-NE1 2.98Å; M542-I550 HydrophobicContact CE-CD1 3.69Å
543D50.1Low54.1Low102 Ų10281.4 Ų81.455%0.54540%0.401SS..PPolyproline II helixtrans-71155.5177-174.419.1000110.7M545 Q546 W547D543-M545 PolarHBondContact O-N 2.97Å; D543-M545 VanDerWaalsContact O-N 3.11Å; D543-Q546 HydrophobicContact CB-CG 4.4Å; D543-Q546 WeakPolarHBondContact O-CA 3.42Å; D543-Q546 WeakPolarHBondContact O-CB 3.42Å; D543-Q546 PolarHBondContact O-N 2.64Å; D543-W547 PolarHBondContact O-N 3.29Å
544Y41.7Very low53.2Low164 Ų16484.4 Ų84.464%0.64342%0.417SS*.Hα-helixtrans-50.6-38.9179172.2-100.7000112.5Q546 W547 R548Y544-Q546 VanDerWaalsContact C-N 3.29Å; Y544-Q546 PolarHBondContact O-N 3.06Å; Y544-W547 PolarHBondContact O-N 3.41Å; Y544-R548 WeakPolarHBondContact O-CB 3.32Å; Y544-R548 PolarHBondContact O-N 2.85Å
545M44.4Very low52.2Low102 Ų10285.5 Ų85.550%0.50242%0.424SS..Hα-helixtrans-69.7-24.5178-66.3-60.2-68.300113.6D543D543-M545 PolarHBondContact O-N 2.97Å; D543-M545 VanDerWaalsContact O-N 3.11Å
546Q50.9Low51.3Low85 Ų8589 Ų8940%0.39744%0.435SS..Hα-helixtrans-82-43.1176.1-61.3175.6-62.900110.5M542 D543 Y544 R548 K549 I550M542-Q546 HydrophobicContact CB-CB 4.49Å; M542-Q546 HydrophobicContact CE-CB 3.7Å; M542-Q546 HydrophobicContact CE-CG 4.48Å; M542-Q546 HydrophobicContact SD-CB 4.36Å; D543-Q546 HydrophobicContact CB-CG 4.4Å; D543-Q546 WeakPolarHBondContact O-CA 3.42Å; D543-Q546 WeakPolarHBondContact O-CB 3.42Å; D543-Q546 PolarHBondContact O-N 2.64Å; Y544-Q546 VanDerWaalsContact C-N 3.29Å; Y544-Q546 PolarHBondContact O-N 3.06Å; Q546-R548 PolarHBondContact O-N 3.27Å; Q546-K549 PolarHBondContact O-N 3.32Å; Q546-K549 VanDerWaalsContact O-N 3.08Å; Q546-I550 WeakPolarHBondContact O-CG1 3.43Å; Q546-I550 PolarHBondContact O-N 2.76Å; Q546-I550 VanDerWaalsContact O-N 3.14Å
547W46Very low50.7Low156 Ų15690.6 Ų90.659%0.59144%0.441SS*.Hα-helixtrans-56.2-40.5171.3-78.6113.3000112.8M542 D543 Y544 K549 I550 A551M542-W547 HydrophobicContact CB-CD2 4.41Å; M542-W547 HydrophobicContact CB-CG 4.46Å; M542-W547 HydrophobicContact CB-CZ2 4.21Å; M542-W547 VanDerWaalsContact O-CD1 3.31Å; M542-W547 PolarHBondContact O-NE1 2.98Å; D543-W547 PolarHBondContact O-N 3.29Å; Y544-W547 PolarHBondContact O-N 3.41Å; W547-K549 VanDerWaalsContact C-N 3.31Å; W547-K549 PolarHBondContact O-N 3.05Å; W547-I550 HydrophobicContact CE3-CD1 4.35Å; W547-I550 PolarHBondContact O-N 2.93Å; W547-A551 PolarHBondContact O-N 2.97Å; W547-A551 VanDerWaalsContact O-N 3.12Å
548R41.6Very low50.2Low62 Ų6289.5 Ų89.523%0.23443%0.432CS..Hα-helixtrans-63-36177-169.1176.7-164.9-166.111.3112.6Y544 Q546 T552 F570Y544-R548 WeakPolarHBondContact O-CB 3.32Å; Y544-R548 PolarHBondContact O-N 2.85Å; Q546-R548 PolarHBondContact O-N 3.27Å; R548-T552 PolarHBondContact O-OG1 3.46Å; R548-F570 HydrophobicContact CG-CD2 3.51Å; R548-F570 HydrophobicContact CG-CE2 3.39Å; R548-F570 HydrophobicContact CG-CG 4.43Å; R548-F570 HydrophobicContact CG-CZ 4.24Å; R548-F570 PolarHBondContact NH1-O 3.11Å; R548-F570 PolarHBondContact NH2-O 3.31Å; R548-F570 WeakPolarHBondContact O-CE2 3.27Å
549K53Low50.4Low97 Ų9786.8 Ų86.842%0.42242%0.418SS..Hα-helixtrans-69.6-45.8177-75.2-179.6176.9-170.60111.8Q546 W547 A551 T552 E553Q546-K549 PolarHBondContact O-N 3.32Å; Q546-K549 VanDerWaalsContact O-N 3.08Å; W547-K549 VanDerWaalsContact C-N 3.31Å; W547-K549 PolarHBondContact O-N 3.05Å; K549-A551 PolarHBondContact O-N 2.99Å; K549-T552 PolarHBondContact O-N 3.21Å; K549-T552 PolarHBondContact O-OG1 3.36Å; K549-E553 WeakPolarHBondContact O-CG 3.36Å; K549-E553 PolarHBondContact O-N 2.98Å
550I50Low50.9Low70 Ų7081.5 Ų81.536%0.35940%0.395SS..Hα-helixtrans-55.3-40.5176.5-64.3167.2000110.7M542 Q546 W547 T552 E553M542-I550 HydrophobicContact CE-CD1 3.69Å; Q546-I550 WeakPolarHBondContact O-CG1 3.43Å; Q546-I550 PolarHBondContact O-N 2.76Å; Q546-I550 VanDerWaalsContact O-N 3.14Å; W547-I550 HydrophobicContact CE3-CD1 4.35Å; W547-I550 PolarHBondContact O-N 2.93Å; I550-T552 PolarHBondContact O-N 3.23Å; I550-E553 PolarHBondContact O-N 3.19Å
551A38.1Very low51.2Low85 Ų8576.2 Ų76.270%0.70237%0.373SS*.THydrogen-bonded Turntrans-68-12.6179.200000115W547 K549W547-A551 PolarHBondContact O-N 2.97Å; W547-A551 VanDerWaalsContact O-N 3.12Å; K549-A551 PolarHBondContact O-N 2.99Å
552T45.5Very low51.8Low57 Ų5772.8 Ų72.835%0.3536%0.356SS..THydrogen-bonded Turntrans-106.1-4.9177.6340000115R548 K549 I550 F570R548-T552 PolarHBondContact O-OG1 3.46Å; K549-T552 PolarHBondContact O-N 3.21Å; K549-T552 PolarHBondContact O-OG1 3.36Å; I550-T552 PolarHBondContact O-N 3.23Å; T552-F570 HydrophobicContact CG2-CD2 4.11Å; T552-F570 HydrophobicContact CG2-CE1 3.89Å; T552-F570 HydrophobicContact CG2-CE2 3.11Å; T552-F570 HydrophobicContact CG2-CZ 3.02Å
553E55.4Low52.1Low59 Ų5971.6 Ų71.628%0.27635%0.352SS..  trans-72.2130.2-174.9-76.3161.3-165.900111K549 I550 S560K549-E553 WeakPolarHBondContact O-CG 3.36Å; K549-E553 PolarHBondContact O-N 2.98Å; I550-E553 PolarHBondContact O-N 3.19Å; E553-S560 WeakPolarHBondContact OE2-CA 3.45Å
554D56.5Low51.8Low67 Ų6770.3 Ų70.336%0.35834%0.343SS..  trans-92.2107.3171.1-175.2-6.3000109.6K556 Q557 G558 G559D554-K556 PolarHBondContact O-N 3.38Å; D554-K556 WeakPolarHBondContact OD1-CB 3.48Å; D554-K556 PolarHBondContact OD1-N 2.87Å; D554-Q557 HydrophobicContact CB-CB 4.24Å; D554-Q557 PolarHBondContact O-N 2.91Å; D554-Q557 VanDerWaalsContact O-N 3.1Å; D554-Q557 WeakPolarHBondContact OD2-CG 3.48Å; D554-G558 PolarHBondContact O-N 2.94Å; D554-G559 WeakPolarHBondContact O-CA 3.45Å; D554-G559 PolarHBondContact O-N 3.34Å
555L55.7Low51.7Low63 Ų6368.7 Ų68.733%0.3334%0.344SS..G310 helixtrans-59.4-26.4178.8-62.9176.4000112.6E19 I20 D23E19-L555 HydrophobicContact CB-CB 4.24Å; I20-L555 HydrophobicContact CG1-CD1 4.28Å; D23-L555 HydrophobicContact CB-CD2 4.03Å
556K51Low50.9Low97 Ų9768.6 Ų68.642%0.42235%0.35SS..G310 helixtrans-76.8-27.5178.6-65.2179.5172177.30113E19 D554E19-K556 HydrophobicContact CG-CG 4.42Å; E19-K556 WeakPolarHBondContact OE1-CE 3.16Å; E19-K556 IonicContact OE1-NZ 2.65Å; E19-K556 WeakPolarHBondContact OE2-CE 3.43Å; D554-K556 PolarHBondContact O-N 3.38Å; D554-K556 WeakPolarHBondContact OD1-CB 3.48Å; D554-K556 PolarHBondContact OD1-N 2.87Å
557Q54.7Low49.6Very low91 Ų9167.9 Ų67.943%0.42535%0.354SS..G310 helixtrans-106.225.9-177.1-64.7-162.3-8.800114E43 D554E43-Q557 VanDerWaalsContact OE2-CG 3.3Å; E43-Q557 WeakPolarHBondContact OE2-CG 3.48Å; E43-Q557 PolarHBondContact OE2-NE2 3.1Å; D554-Q557 HydrophobicContact CB-CB 4.24Å; D554-Q557 PolarHBondContact O-N 2.91Å; D554-Q557 VanDerWaalsContact O-N 3.1Å; D554-Q557 WeakPolarHBondContact OD2-CG 3.48Å
558G56.1Low48.8Very low5 Ų562.3 Ų62.35%0.05234%0.338CS..THydrogen-bonded Turntrans106.56172.300000115.8D554 L561 Q562D554-G558 PolarHBondContact O-N 2.94Å; G558-L561 CarbonylContact O-C 3.28Å; G558-L561 PolarHBondContact O-N 3.16Å; G558-Q562 PolarHBondContact O-N 3.27Å
559G65.2Low48.2Very low0 Ų064.2 Ų64.20%036%0.357CS..G310 helixtrans50.5-135.4163.500000114.7D23 D554 L561 Q562D23-G559 VanDerWaalsContact OD1-CA 3.32Å; D23-G559 WeakPolarHBondContact OD1-CA 3.34Å; D554-G559 WeakPolarHBondContact O-CA 3.45Å; D554-G559 PolarHBondContact O-N 3.34Å; G559-L561 PolarHBondContact O-N 2.81Å; G559-Q562 WeakPolarHBondContact O-CB 3.48Å; G559-Q562 PolarHBondContact O-N 3.08Å
560S63.6Low47.2Very low36 Ų3663.4 Ų63.425%0.25235%0.353SS..G310 helixtrans-59.9-15.9-176.4-55.30000113.6D23 E553D23-S560 PolarHBondContact OD1-N 3.36Å; D23-S560 WeakPolarHBondContact OD2-CB 3.4Å; D23-S560 PolarHBondContact OD2-N 3.4Å; D23-S560 PolarHBondContact OD2-OG 3.24Å; E553-S560 WeakPolarHBondContact OE2-CA 3.45Å
561L59.8Low46.5Very low5 Ų566 Ų663%0.02637%0.367CS..G310 helixtrans-100.75.9179.8-70.5-171.9000114.2N26 S30 F39 R525 G558 G559 V563N26-L561 VanDerWaalsContact C-CD1 3.49Å; N26-L561 HydrophobicContact CB-CD1 4.21Å; N26-L561 VanDerWaalsContact O-CD1 3.27Å; N26-L561 WeakPolarHBondContact O-CD1 3.07Å; S30-L561 VanDerWaalsContact OG-CD1 3.29Å; S30-L561 WeakPolarHBondContact OG-CD1 3.3Å; F39-L561 HydrophobicContact CD2-CD1 4.34Å; F39-L561 HydrophobicContact CE2-CB 4.11Å; F39-L561 HydrophobicContact CE2-CD1 3.99Å; R525-L561 HydrophobicContact CG-CB 4.09Å; R525-L561 HydrophobicContact CG-CD1 4.1Å; R525-L561 HydrophobicContact CG-CD2 4.28Å; R525-L561 HydrophobicContact CG-CG 4.41Å; G558-L561 CarbonylContact O-C 3.28Å; G558-L561 PolarHBondContact O-N 3.16Å; G559-L561 PolarHBondContact O-N 2.81Å; L561-V563 VanDerWaalsContact C-N 3.3Å; L561-V563 PolarHBondContact O-N 3.47Å
562Q61.8Low46.4Very low73 Ų7365.2 Ų65.234%0.34135%0.354SS..  trans-67.293.4174.9-157177.123.800109.2G558 G559 E564G558-Q562 PolarHBondContact O-N 3.27Å; G559-Q562 WeakPolarHBondContact O-CB 3.48Å; G559-Q562 PolarHBondContact O-N 3.08Å; Q562-E564 HydrophobicContact CG-CG 4.17Å; Q562-E564 PolarHBondContact O-N 3.27Å
563V52.2Low46.3Very low27 Ų2765.9 Ų65.916%0.16436%0.355CS..  trans-7378.9168.5-175.50000106.9L521 K524 R525 L561 L565L521-V563 HydrophobicContact CD2-CB 4.28Å; L521-V563 HydrophobicContact CD2-CG1 3.87Å; K524-V563 HydrophobicContact CB-CB 4.29Å; K524-V563 HydrophobicContact CB-CG1 3.44Å; K524-V563 VanDerWaalsContact CB-CG1 3.44Å; K524-V563 HydrophobicContact CB-CG2 3.87Å; K524-V563 HydrophobicContact CD-CG1 3.41Å; K524-V563 VanDerWaalsContact CD-CG1 3.41Å; K524-V563 HydrophobicContact CG-CG1 4.09Å; R525-V563 HydrophobicContact CB-CG2 3.84Å; L561-V563 VanDerWaalsContact C-N 3.3Å; L561-V563 PolarHBondContact O-N 3.47Å; V563-L565 PolarHBondContact O-N 3.14Å
564E43.9Very low46Very low76 Ų7663.8 Ų63.836%0.35535%0.346SS..  trans-58.1128.3173.3-64.8-177.6126.400108.6Q562 T566 P568Q562-E564 HydrophobicContact CG-CG 4.17Å; Q562-E564 PolarHBondContact O-N 3.27Å; E564-T566 WeakPolarHBondContact CB-O 3.49Å; E564-T566 PolarHBondContact O-N 2.82Å; E564-T566 VanDerWaalsContact O-N 3.09Å; E564-P568 WeakPolarHBondContact OE2-CD 3.12Å; E564-P568 WeakPolarHBondContact OE2-CG 3.48Å; E564-P568 VanDerWaalsContact OE2-N 3.07Å
565L39.2Very low45.7Very low129 Ų12965.3 Ų65.368%0.67536%0.358SS*.SBendtrans-62.8-11.3167.7-141114.2000111.2L521 V563L521-L565 HydrophobicContact CD1-CD1 3.96Å; L521-L565 HydrophobicContact CD2-CD1 3.73Å; L521-L565 HydrophobicContact CG-CD1 4.1Å; V563-L565 PolarHBondContact O-N 3.14Å
566T29.1Very low45.5Very low101 Ų10170.7 Ų70.762%0.6238%0.379SS*.SBendtrans-129.7104.5176.941.90000107.6E564E564-T566 WeakPolarHBondContact CB-O 3.49Å; E564-T566 PolarHBondContact O-N 2.82Å; E564-T566 VanDerWaalsContact O-N 3.09Å
567S23.1Very low45.6Very low69 Ų6967.4 Ų67.448%0.48337%0.365SS..  trans-38.3138.2161-179.90000108.4V569S567-V569 PolarHBondContact O-N 3.13Å
568P29.3Very low46Very low39 Ų3965.7 Ų65.725%0.25336%0.363SS..  trans-74.680.9161.824.8-7.3000101.1E564 F570E564-P568 WeakPolarHBondContact OE2-CD 3.12Å; E564-P568 WeakPolarHBondContact OE2-CG 3.48Å; E564-P568 VanDerWaalsContact OE2-N 3.07Å; P568-F570 PolarHBondContact O-N 3.21Å
569V28Very low46.3Very low103 Ų10370 Ų7062%0.62438%0.381SS*.  trans-59.789.4151-177.60000100.8S567 L571S567-V569 PolarHBondContact O-N 3.13Å; V569-L571 HydrophobicContact CG1-CG 4.44Å; V569-L571 PolarHBondContact O-N 3.4Å
570F32.3Very low46Very low79 Ų7977.5 Ų77.535%0.34642%0.416SS..  trans-57.388147.4-76.1-90.4000104.7R548 T552 P568 T572R548-F570 HydrophobicContact CG-CD2 3.51Å; R548-F570 HydrophobicContact CG-CE2 3.39Å; R548-F570 HydrophobicContact CG-CG 4.43Å; R548-F570 HydrophobicContact CG-CZ 4.24Å; R548-F570 PolarHBondContact NH1-O 3.11Å; R548-F570 PolarHBondContact NH2-O 3.31Å; R548-F570 WeakPolarHBondContact O-CE2 3.27Å; T552-F570 HydrophobicContact CG2-CD2 4.11Å; T552-F570 HydrophobicContact CG2-CE1 3.89Å; T552-F570 HydrophobicContact CG2-CE2 3.11Å; T552-F570 HydrophobicContact CG2-CZ 3.02Å; P568-F570 PolarHBondContact O-N 3.21Å; F570-T572 PolarHBondContact O-N 2.81Å
571L37Very low45.6Very low124 Ų12480 Ų8065%0.64942%0.424SS*.  trans-36.5110.1131.9-80.3149.4000103.9V569 D573V569-L571 HydrophobicContact CG1-CG 4.44Å; V569-L571 PolarHBondContact O-N 3.4Å; L571-D573 PolarHBondContact O-N 2.97Å
572T35Very low45.7Very low69 Ų6979.8 Ų79.842%0.42342%0.422SS..  trans-28.7115.2160.810.30000106.9F570 V574 M577F570-T572 PolarHBondContact O-N 2.81Å; T572-V574 WeakPolarHBondContact O-CG2 3.24Å; T572-V574 PolarHBondContact O-N 3.32Å; T572-M577 HydrophobicContact CG2-CE 3.82Å
573D44.1Very low45.2Very low72 Ų7279 Ų7939%0.38543%0.425SS..  trans-62.793.1-166-169.51.5000109L571 T575 K576L571-D573 PolarHBondContact O-N 2.97Å; D573-T575 VanDerWaalsContact CG-OG1 3.24Å; D573-T575 PolarHBondContact O-N 3.43Å; D573-T575 VanDerWaalsContact O-N 3.11Å; D573-T575 WeakPolarHBondContact OD1-CB 3.44Å; D573-T575 PolarHBondContact OD1-N 3.47Å; D573-T575 PolarHBondContact OD1-OG1 2.87Å; D573-T575 PolarHBondContact OD2-OG1 3.47Å; D573-K576 PolarHBondContact O-N 3.18Å; D573-K576 WeakPolarHBondContact OD2-CD 3.28Å; D573-K576 WeakPolarHBondContact OD2-CE 3.27Å
574V47.8Very low45Very low15 Ų1588.1 Ų88.19%0.09146%0.458CS..THydrogen-bonded Turntrans-67.6-16.2-171.8-158.60000109.3T572 L582 N586 I589T572-V574 WeakPolarHBondContact O-CG2 3.24Å; T572-V574 PolarHBondContact O-N 3.32Å; V574-L582 HydrophobicContact CB-CD2 4.25Å; V574-L582 HydrophobicContact CG1-CD2 3.08Å; V574-L582 HydrophobicContact CG1-CG 4.45Å; V574-N586 HydrophobicContact CG1-CB 4.37Å; V574-I589 HydrophobicContact CB-CD1 4.2Å; V574-I589 HydrophobicContact CB-CG2 3.95Å; V574-I589 HydrophobicContact CG1-CB 3.56Å; V574-I589 HydrophobicContact CG1-CD1 3.77Å; V574-I589 HydrophobicContact CG1-CG1 4.24Å; V574-I589 HydrophobicContact CG1-CG2 3.23Å; V574-I589 HydrophobicContact CG2-CD1 3.7Å
575T51.9Low45.1Very low99 Ų9990.6 Ų90.661%0.60747%0.467SS*.THydrogen-bonded Turntrans-72.2-29.8176.374.20000112.2D573 K593D573-T575 VanDerWaalsContact CG-OG1 3.24Å; D573-T575 PolarHBondContact O-N 3.43Å; D573-T575 VanDerWaalsContact O-N 3.11Å; D573-T575 WeakPolarHBondContact OD1-CB 3.44Å; D573-T575 PolarHBondContact OD1-N 3.47Å; D573-T575 PolarHBondContact OD1-OG1 2.87Å; D573-T575 PolarHBondContact OD2-OG1 3.47Å; T575-K593 PolarHBondContact O-NZ 3.11Å
576K51.4Low45.8Very low175 Ų17587 Ų8776%0.76145%0.449SS*.THydrogen-bonded Turntrans-95.7-14.3-177.6-66.5-174.6-176.3-175.60115.3D573D573-K576 PolarHBondContact O-N 3.18Å; D573-K576 WeakPolarHBondContact OD2-CD 3.28Å; D573-K576 WeakPolarHBondContact OD2-CE 3.27Å
577M52.7Low46.8Very low28 Ų2885.2 Ų85.214%0.13844%0.439CS..SBendtrans-67.8140.7174.2-73.1-179.3-17400110.9T572 E581 L582 K585T572-M577 HydrophobicContact CG2-CE 3.82Å; M577-E581 HydrophobicContact CB-CB 4.19Å; M577-L582 HydrophobicContact CB-CD2 3.59Å; M577-L582 HydrophobicContact CB-CG 3.66Å; M577-L582 HydrophobicContact CG-CD2 4.35Å; M577-L582 HydrophobicContact SD-CD2 4.03Å; M577-K585 HydrophobicContact CE-CD 4.24Å; M577-K585 HydrophobicContact SD-CB 4.44Å; M577-K585 HydrophobicContact SD-CD 4.24Å
578S63.1Low48.3Very low55 Ų5587.9 Ų87.939%0.38544%0.442SS..  trans-62.1155.7172.382.50000109.9E580 E581 L582S578-E580 PolarHBondContact O-N 2.93Å; S578-E581 PolarHBondContact N-OE2 3.46Å; S578-E581 PolarHBondContact O-N 3.11Å; S578-E581 VanDerWaalsContact O-N 3.11Å; S578-E581 WeakPolarHBondContact OG-CG 3.37Å; S578-E581 PolarHBondContact OG-N 3.1Å; S578-L582 WeakPolarHBondContact O-CB 3.26Å; S578-L582 WeakPolarHBondContact O-CG 3.36Å; S578-L582 PolarHBondContact O-N 3.19Å
579F61Low50.1Low96 Ų9688.6 Ų88.642%0.42144%0.443SS..Hα-helixtrans-59.1-34.7-178.8-179.6-106.1000112.5L582 C583 A590 I594F579-L582 WeakPolarHBondContact O-CB 3.33Å; F579-L582 PolarHBondContact O-N 3.48Å; F579-C583 VanDerWaalsContact CE1-SG 3.55Å; F579-C583 WeakPolarHBondContact CZ-SG 3.35Å; F579-C583 PolarHBondContact O-N 3.23Å; F579-C583 PolarHBondContact O-SG 3.04Å; F579-A590 HydrophobicContact CD2-CB 4.5Å; F579-A590 HydrophobicContact CE2-CB 3.93Å; F579-I594 HydrophobicContact CD2-CD1 4.43Å; F579-I594 HydrophobicContact CD2-CG1 3.99Å; F579-I594 HydrophobicContact CE1-CD1 4.28Å; F579-I594 HydrophobicContact CE2-CD1 3.24Å; F579-I594 HydrophobicContact CE2-CG1 3.16Å; F579-I594 HydrophobicContact CZ-CD1 3.13Å; F579-I594 HydrophobicContact CZ-CG1 3.58Å
580E59.8Low51.8Low158 Ų15883.8 Ų83.874%0.73841%0.414SS*.Hα-helixtrans-68.3-41.5174.4-82.4172.7140.600112.6S578 L582 C583 Y584S578-E580 PolarHBondContact O-N 2.93Å; E580-L582 VanDerWaalsContact C-N 3.29Å; E580-L582 PolarHBondContact O-N 3.35Å; E580-C583 PolarHBondContact O-N 2.78Å; E580-Y584 PolarHBondContact O-N 3.16Å; E580-Y584 VanDerWaalsContact O-N 3.16Å
581E54.5Low52.9Low88 Ų8880.7 Ų80.741%0.41140%0.402SS..Hα-helixtrans-65.8-34.4174.2-71.9-177.1131.400112.1M577 S578 Y584 K585M577-E581 HydrophobicContact CB-CB 4.19Å; S578-E581 PolarHBondContact N-OE2 3.46Å; S578-E581 PolarHBondContact O-N 3.11Å; S578-E581 VanDerWaalsContact O-N 3.11Å; S578-E581 WeakPolarHBondContact OG-CG 3.37Å; S578-E581 PolarHBondContact OG-N 3.1Å; E581-Y584 PolarHBondContact O-N 3.19Å; E581-K585 VanDerWaalsContact O-CB 3.32Å; E581-K585 WeakPolarHBondContact O-CB 3.45Å; E581-K585 PolarHBondContact O-N 3.45Å
582L63Low54.4Low0 Ų078.5 Ų78.50%039%0.388CS..Hα-helixtrans-66.5-41.5173.1-72.6177.6000112V574 M577 S578 F579 E580 Y584 N586 P587 A590 K593V574-L582 HydrophobicContact CB-CD2 4.25Å; V574-L582 HydrophobicContact CG1-CD2 3.08Å; V574-L582 HydrophobicContact CG1-CG 4.45Å; M577-L582 HydrophobicContact CB-CD2 3.59Å; M577-L582 HydrophobicContact CB-CG 3.66Å; M577-L582 HydrophobicContact CG-CD2 4.35Å; M577-L582 HydrophobicContact SD-CD2 4.03Å; S578-L582 WeakPolarHBondContact O-CB 3.26Å; S578-L582 WeakPolarHBondContact O-CG 3.36Å; S578-L582 PolarHBondContact O-N 3.19Å; F579-L582 WeakPolarHBondContact O-CB 3.33Å; F579-L582 PolarHBondContact O-N 3.48Å; E580-L582 VanDerWaalsContact C-N 3.29Å; E580-L582 PolarHBondContact O-N 3.35Å; L582-Y584 PolarHBondContact O-N 3.09Å; L582-N586 CarbonylContact O-C 3.17Å; L582-N586 WeakPolarHBondContact O-CA 2.88Å; L582-N586 PolarHBondContact O-N 3.45Å; L582-P587 VanDerWaalsContact O-N 3.13Å; L582-A590 HydrophobicContact CB-CB 3.69Å; L582-K593 HydrophobicContact CD1-CD 3.51Å
583C50.2Low56.1Low58 Ų5878.1 Ų78.139%0.39238%0.38SS..Hα-helixtrans-60.6-35.5175.7-71.70000112F579 E580F579-C583 VanDerWaalsContact CE1-SG 3.55Å; F579-C583 WeakPolarHBondContact CZ-SG 3.35Å; F579-C583 PolarHBondContact O-N 3.23Å; F579-C583 PolarHBondContact O-SG 3.04Å; E580-C583 PolarHBondContact O-N 2.78Å
584Y47.8Very low57.1Low217 Ų21776.5 Ų76.585%0.85137%0.371SS*.Hα-helixtrans-83.5-43.3-179.1-124.8-85.4000113.6E580 E581 L582E580-Y584 PolarHBondContact O-N 3.16Å; E580-Y584 VanDerWaalsContact O-N 3.16Å; E581-Y584 PolarHBondContact O-N 3.19Å; L582-Y584 PolarHBondContact O-N 3.09Å
585K47.5Very low57.9Low129 Ų12977 Ų7756%0.56138%0.375SS*.Hα-helixtrans-96.1-33.9-172-65.3178.1179.3166.70113.9M577 E581M577-K585 HydrophobicContact CE-CD 4.24Å; M577-K585 HydrophobicContact SD-CB 4.44Å; M577-K585 HydrophobicContact SD-CD 4.24Å; E581-K585 VanDerWaalsContact O-CB 3.32Å; E581-K585 WeakPolarHBondContact O-CB 3.45Å; E581-K585 PolarHBondContact O-N 3.45Å
586N52.8Low58.8Low54 Ų5476.8 Ų76.829%0.28937%0.37SS..  trans-146.766.1-176.9-83.1-48.6000112.4V574 L582 K588 I589 A590V574-N586 HydrophobicContact CG1-CB 4.37Å; L582-N586 CarbonylContact O-C 3.17Å; L582-N586 WeakPolarHBondContact O-CA 2.88Å; L582-N586 PolarHBondContact O-N 3.45Å; N586-K588 PolarHBondContact O-N 2.76Å; N586-I589 HydrophobicContact CB-CB 4.48Å; N586-I589 HydrophobicContact CB-CD1 4.4Å; N586-I589 PolarHBondContact O-N 3.16Å; N586-A590 PolarHBondContact O-N 3.17Å; N586-A590 VanDerWaalsContact O-N 3.07Å
587P50.9Low59.6Low62 Ų6272.9 Ų72.940%0.40336%0.358SS..Hα-helixtrans-60.4-25.4-171.117.3-29.5000114.3L582 A590 V591L582-P587 VanDerWaalsContact O-N 3.13Å; P587-A590 WeakPolarHBondContact O-CB 3.09Å; P587-V591 VanDerWaalsContact O-CG2 3.29Å; P587-V591 WeakPolarHBondContact O-CG2 3.39Å; P587-V591 PolarHBondContact O-N 3.1Å; P587-V591 VanDerWaalsContact O-N 3.14Å
588K53.5Low59.8Low125 Ų12572.4 Ų72.454%0.54336%0.355SS..Hα-helixtrans-65.5-41.5173.9-73.3-175.3176.9179.50112.7N586 V591 E592N586-K588 PolarHBondContact O-N 2.76Å; K588-V591 PolarHBondContact O-N 3.47Å; K588-E592 PolarHBondContact O-N 3.17Å; K588-E592 VanDerWaalsContact O-N 3.15Å
589I66.9Low60.1Low54 Ų5475.8 Ų75.828%0.27736%0.363SS..Hα-helixtrans-81.3-28.5-178.3-54.7172.8000110V574 N586 V591 E592 K593V574-I589 HydrophobicContact CB-CD1 4.2Å; V574-I589 HydrophobicContact CB-CG2 3.95Å; V574-I589 HydrophobicContact CG1-CB 3.56Å; V574-I589 HydrophobicContact CG1-CD1 3.77Å; V574-I589 HydrophobicContact CG1-CG1 4.24Å; V574-I589 HydrophobicContact CG1-CG2 3.23Å; V574-I589 HydrophobicContact CG2-CD1 3.7Å; N586-I589 HydrophobicContact CB-CB 4.48Å; N586-I589 HydrophobicContact CB-CD1 4.4Å; N586-I589 PolarHBondContact O-N 3.16Å; I589-V591 VanDerWaalsContact C-N 3.31Å; I589-V591 PolarHBondContact O-N 3.15Å; I589-E592 PolarHBondContact O-N 2.97Å; I589-K593 WeakPolarHBondContact O-CB 3.23Å; I589-K593 PolarHBondContact O-N 3.35Å
590A64.1Low60.5Low2 Ų274 Ų742%0.01736%0.36CS..Hα-helixtrans-54.4-48.8165.600000110.8F579 L582 N586 P587 E592 K593 I594F579-A590 HydrophobicContact CD2-CB 4.5Å; F579-A590 HydrophobicContact CE2-CB 3.93Å; L582-A590 HydrophobicContact CB-CB 3.69Å; N586-A590 PolarHBondContact O-N 3.17Å; N586-A590 VanDerWaalsContact O-N 3.07Å; P587-A590 WeakPolarHBondContact O-CB 3.09Å; A590-E592 PolarHBondContact O-N 3.43Å; A590-K593 PolarHBondContact O-N 3.01Å; A590-I594 VanDerWaalsContact O-CG1 3.28Å; A590-I594 WeakPolarHBondContact O-CG1 3.23Å; A590-I594 PolarHBondContact O-N 2.97Å
591V56.9Low60.7Low15 Ų1571 Ų719%0.09134%0.342CS..Hα-helixtrans-65.8-36179.1173.20000112.9P587 K588 I589 S595 K918 I921P587-V591 VanDerWaalsContact O-CG2 3.29Å; P587-V591 WeakPolarHBondContact O-CG2 3.39Å; P587-V591 PolarHBondContact O-N 3.1Å; P587-V591 VanDerWaalsContact O-N 3.14Å; K588-V591 PolarHBondContact O-N 3.47Å; I589-V591 VanDerWaalsContact C-N 3.31Å; I589-V591 PolarHBondContact O-N 3.15Å; V591-S595 WeakPolarHBondContact O-CB 3.31Å; V591-S595 PolarHBondContact O-N 2.74Å; V591-S595 VanDerWaalsContact O-N 3.13Å; V591-S595 PolarHBondContact O-OG 3.14Å; V591-K918 HydrophobicContact CG1-CD 4.25Å; V591-K918 HydrophobicContact CG1-CG 4.12Å; V591-I921 HydrophobicContact CG2-CD1 3.33Å; V591-I921 HydrophobicContact CG2-CG2 4.25Å
592E67.6Low60.7Low78 Ų7868.6 Ų68.636%0.36433%0.334SS..Hα-helixtrans-67.6-46.1174.3-75.2-178.5162.300111.4K588 I589 A590 I594 S595 D596 K890K588-E592 PolarHBondContact O-N 3.17Å; K588-E592 VanDerWaalsContact O-N 3.15Å; I589-E592 PolarHBondContact O-N 2.97Å; A590-E592 PolarHBondContact O-N 3.43Å; E592-I594 VanDerWaalsContact C-N 3.34Å; E592-I594 PolarHBondContact O-N 3.45Å; E592-S595 CarbonylContact O-C 3.58Å; E592-S595 WeakPolarHBondContact O-CA 3.45Å; E592-S595 WeakPolarHBondContact O-CB 3.48Å; E592-S595 PolarHBondContact O-N 2.99Å; E592-D596 PolarHBondContact O-N 3.05Å; E592-K890 IonicContact OE1-NZ 3.21Å; E592-K890 PolarHBondContact OE1-NZ 2.9Å
593K70Confident60.8Low60 Ų6074.4 Ų74.426%0.26136%0.362SS..Hα-helixtrans-58.6-42.7177.4-164.3174.4-173.7172.90111.9T575 L582 I589 A590 S595 D596 D597T575-K593 PolarHBondContact O-NZ 3.11Å; L582-K593 HydrophobicContact CD1-CD 3.51Å; I589-K593 WeakPolarHBondContact O-CB 3.23Å; I589-K593 PolarHBondContact O-N 3.35Å; A590-K593 PolarHBondContact O-N 3.01Å; K593-S595 VanDerWaalsContact C-N 3.33Å; K593-S595 PolarHBondContact O-N 2.84Å; K593-D596 PolarHBondContact O-N 3.01Å; K593-D597 WeakPolarHBondContact O-CB 3.28Å; K593-D597 VanDerWaalsContact O-CG 3.23Å; K593-D597 PolarHBondContact O-N 2.71Å
594I66.4Low61.1Low38 Ų3879.7 Ų79.720%0.19538%0.378CS..Hα-helixtrans-65.4-38173.9-51.8160.9000111.8F579 A590 E592 D596 Y598 L914F579-I594 HydrophobicContact CD2-CD1 4.43Å; F579-I594 HydrophobicContact CD2-CG1 3.99Å; F579-I594 HydrophobicContact CE1-CD1 4.28Å; F579-I594 HydrophobicContact CE2-CD1 3.24Å; F579-I594 HydrophobicContact CE2-CG1 3.16Å; F579-I594 HydrophobicContact CZ-CD1 3.13Å; F579-I594 HydrophobicContact CZ-CG1 3.58Å; A590-I594 VanDerWaalsContact O-CG1 3.28Å; A590-I594 WeakPolarHBondContact O-CG1 3.23Å; A590-I594 PolarHBondContact O-N 2.97Å; E592-I594 VanDerWaalsContact C-N 3.34Å; E592-I594 PolarHBondContact O-N 3.45Å; I594-D596 VanDerWaalsContact C-N 3.27Å; I594-D596 PolarHBondContact O-N 3.42Å; I594-Y598 WeakPolarHBondContact O-CB 3.29Å; I594-Y598 PolarHBondContact O-N 3.11Å; I594-L914 HydrophobicContact CB-CD1 4.08Å; I594-L914 HydrophobicContact CD1-CD1 4.45Å; I594-L914 HydrophobicContact CG2-CD1 3.19Å; I594-L914 HydrophobicContact CG2-CD2 4.02Å; I594-L914 HydrophobicContact CG2-CG 4.22Å
595S63.3Low61.3Low25 Ų2570.2 Ų70.218%0.17535%0.345CS..Hα-helixtrans-65.3-35.1178.9-58.10000111.3V591 E592 K593 K599 K918V591-S595 WeakPolarHBondContact O-CB 3.31Å; V591-S595 PolarHBondContact O-N 2.74Å; V591-S595 VanDerWaalsContact O-N 3.13Å; V591-S595 PolarHBondContact O-OG 3.14Å; E592-S595 CarbonylContact O-C 3.58Å; E592-S595 WeakPolarHBondContact O-CA 3.45Å; E592-S595 WeakPolarHBondContact O-CB 3.48Å; E592-S595 PolarHBondContact O-N 2.99Å; K593-S595 VanDerWaalsContact C-N 3.33Å; K593-S595 PolarHBondContact O-N 2.84Å; S595-K599 PolarHBondContact O-N 3.29Å; S595-K918 PolarHBondContact OG-NZ 3.1Å
596D72.1Confident61.2Low95 Ų9569.3 Ų69.351%0.50835%0.352SS..Hα-helixtrans-77.6-44.1177.4-69.2-26.3000112E592 K593 I594 Y598 K599 V600E592-D596 PolarHBondContact O-N 3.05Å; K593-D596 PolarHBondContact O-N 3.01Å; I594-D596 VanDerWaalsContact C-N 3.27Å; I594-D596 PolarHBondContact O-N 3.42Å; D596-Y598 VanDerWaalsContact C-N 3.25Å; D596-Y598 PolarHBondContact O-N 3.21Å; D596-K599 WeakPolarHBondContact O-CA 3.49Å; D596-K599 WeakPolarHBondContact O-CB 3.45Å; D596-K599 PolarHBondContact O-N 3.42Å; D596-V600 WeakPolarHBondContact O-CG2 3.27Å; D596-V600 PolarHBondContact O-N 3.37Å
597D68Low60.9Low94 Ų9475.6 Ų75.650%0.50338%0.376SS..Hα-helixtrans-60.4-38.4174.2-73-19.9000111K593 V600 Y601K593-D597 WeakPolarHBondContact O-CB 3.28Å; K593-D597 VanDerWaalsContact O-CG 3.23Å; K593-D597 PolarHBondContact O-N 2.71Å; D597-V600 PolarHBondContact O-N 2.92Å; D597-Y601 WeakPolarHBondContact O-CB 3.27Å; D597-Y601 PolarHBondContact O-N 2.85Å
598Y56.8Low60.5Low18 Ų1878.3 Ų78.37%0.07139%0.386CS..Hα-helixtrans-65.8-37.9174-174.4-116.1000112.4I594 D596 Y601 C602 L894 L901 D911 L914I594-Y598 WeakPolarHBondContact O-CB 3.29Å; I594-Y598 PolarHBondContact O-N 3.11Å; D596-Y598 VanDerWaalsContact C-N 3.25Å; D596-Y598 PolarHBondContact O-N 3.21Å; Y598-Y601 HydrophobicContact CD2-CD1 4.14Å; Y598-Y601 HydrophobicContact CE2-CD1 4.07Å; Y598-Y601 WeakPolarHBondContact O-CB 3.45Å; Y598-Y601 PolarHBondContact O-N 3.2Å; Y598-C602 PolarHBondContact O-N 3.49Å; Y598-C602 PolarHBondContact O-SG 3.26Å; Y598-L894 HydrophobicContact CD1-CD1 3.68Å; Y598-L894 HydrophobicContact CE1-CD1 3.95Å; Y598-L901 HydrophobicContact CE1-CD1 4.26Å; Y598-L901 HydrophobicContact CE2-CD1 4.25Å; Y598-L901 WeakPolarHBondContact OH-CD1 3.5Å; Y598-D911 HydrophobicContact CE2-CB 4.23Å; Y598-D911 WeakPolarHBondContact CE2-OD1 3.22Å; Y598-D911 VanDerWaalsContact OH-CB 3.24Å; Y598-D911 WeakPolarHBondContact OH-CB 3.41Å; Y598-D911 PolarHBondContact OH-OD1 2.89Å; Y598-D911 PolarHBondContact OH-OD2 3.15Å; Y598-L914 HydrophobicContact CD1-CD2 3.83Å; Y598-L914 HydrophobicContact CD2-CD2 3.73Å; Y598-L914 HydrophobicContact CE1-CD2 4.41Å; Y598-L914 HydrophobicContact CE2-CD2 4.37Å; Y598-L914 HydrophobicContact CG-CD2 3.42Å; Y598-L914 VanDerWaalsContact CG-CD2 3.42Å
599K69.4Low59.8Low125 Ų12580 Ų8054%0.54340%0.401SS..Hα-helixtrans-65.3-42.2174.6-172.2-175.3173.4-166.40111.4S595 D596 Y601 C602 E603S595-K599 PolarHBondContact O-N 3.29Å; D596-K599 WeakPolarHBondContact O-CA 3.49Å; D596-K599 WeakPolarHBondContact O-CB 3.45Å; D596-K599 PolarHBondContact O-N 3.42Å; K599-Y601 VanDerWaalsContact C-N 3.32Å; K599-C602 WeakPolarHBondContact O-CB 3.44Å; K599-C602 PolarHBondContact O-N 3.12Å; K599-E603 WeakPolarHBondContact O-CG 3.47Å; K599-E603 PolarHBondContact O-N 2.95Å
600V69.3Low58.4Low59 Ų5982.9 Ų82.936%0.35841%0.412SS..Hα-helixtrans-65.1-37.3174.3174.50000111.1D596 D597 E603 K604D596-V600 WeakPolarHBondContact O-CG2 3.27Å; D596-V600 PolarHBondContact O-N 3.37Å; D597-V600 PolarHBondContact O-N 2.92Å; V600-E603 PolarHBondContact O-N 3.45Å; V600-K604 HydrophobicContact CG1-CD 4.02Å; V600-K604 HydrophobicContact CG1-CG 4.42Å; V600-K604 WeakPolarHBondContact O-CB 3.39Å; V600-K604 WeakPolarHBondContact O-CG 3.39Å; V600-K604 PolarHBondContact O-N 3.02Å
601Y64.6Low57.3Low95 Ų9592.7 Ų92.737%0.37346%0.455SS..Hα-helixtrans-61.8-44.2171.8174.7-98.5000112D597 Y598 K599 E603 K604 A605 N908D597-Y601 WeakPolarHBondContact O-CB 3.27Å; D597-Y601 PolarHBondContact O-N 2.85Å; Y598-Y601 HydrophobicContact CD2-CD1 4.14Å; Y598-Y601 HydrophobicContact CE2-CD1 4.07Å; Y598-Y601 WeakPolarHBondContact O-CB 3.45Å; Y598-Y601 PolarHBondContact O-N 3.2Å; K599-Y601 VanDerWaalsContact C-N 3.32Å; Y601-E603 PolarHBondContact O-N 3.07Å; Y601-K604 PolarHBondContact O-N 3.06Å; Y601-A605 PolarHBondContact O-N 2.74Å; Y601-N908 PolarHBondContact OH-ND2 3.28Å
602C54Low56.1Low37 Ų3795.9 Ų95.925%0.2547%0.474CS..Hα-helixtrans-58.8-35.4173.2-62.40000112.2Y598 K599 L901Y598-C602 PolarHBondContact O-N 3.49Å; Y598-C602 PolarHBondContact O-SG 3.26Å; K599-C602 WeakPolarHBondContact O-CB 3.44Å; K599-C602 PolarHBondContact O-N 3.12Å; C602-L901 HydrophobicContact CB-CD1 4.4Å; C602-L901 HydrophobicContact CB-CD2 4.26Å; C602-L901 WeakPolarHBondContact SG-CD1 3.34Å
603E65.1Low54.3Low123 Ų123100.2 Ų100.258%0.57549%0.494SS*.Hα-helixtrans-76.2-31.1179.1-71.8171.9-173.500112.9K599 V600 Y601K599-E603 WeakPolarHBondContact O-CG 3.47Å; K599-E603 PolarHBondContact O-N 2.95Å; V600-E603 PolarHBondContact O-N 3.45Å; Y601-E603 PolarHBondContact O-N 3.07Å
604K56.6Low52.5Low169 Ų169103.8 Ų103.874%0.73552%0.515SS*.Hα-helixtrans-91.9-15.4-179.2-72.6-178.5-179.6178.30114.6V600 Y601V600-K604 HydrophobicContact CG1-CD 4.02Å; V600-K604 HydrophobicContact CG1-CG 4.42Å; V600-K604 WeakPolarHBondContact O-CB 3.39Å; V600-K604 WeakPolarHBondContact O-CG 3.39Å; V600-K604 PolarHBondContact O-N 3.02Å; Y601-K604 PolarHBondContact O-N 3.06Å
605A52.7Low50.8Low18 Ų18109.2 Ų109.215%0.14954%0.542CS..SBendtrans-54.8138.3174.400000109.9Y601 K607Y601-A605 PolarHBondContact O-N 2.74Å; A605-K607 PolarHBondContact O-N 2.99Å
606P44.1Very low49.3Very low109 Ų109116 Ų11671%0.70857%0.568SS**  trans-56.6116.9-174.721.1-31.1000109.4I608P606-I608 HydrophobicContact CB-CG1 4.42Å; P606-I608 PolarHBondContact O-N 3.18Å
607K46.8Very low47.1Very low186 Ų186120 Ų12081%0.80958%0.584SS**  trans-70.377.4166.3-66.6-179.5-176.2175.10107A605 D609A605-K607 PolarHBondContact O-N 2.99Å; K607-D609 PolarHBondContact O-N 2.92Å; K607-D609 VanDerWaalsContact O-N 3.1Å
608I42.2Very low45.3Very low119 Ų119120.4 Ų120.461%0.6159%0.592SS**  trans-65.3111.5161-62.2170.7000104P606 F610P606-I608 HydrophobicContact CB-CG1 4.42Å; P606-I608 PolarHBondContact O-N 3.18Å; I608-F610 HydrophobicContact CB-CD2 4.22Å; I608-F610 HydrophobicContact CB-CE2 4.19Å; I608-F610 HydrophobicContact CG2-CD2 3.71Å; I608-F610 HydrophobicContact CG2-CE2 3.52Å; I608-F610 HydrophobicContact CG2-CZ 4.31Å; I608-F610 PolarHBondContact O-N 3Å
609D40.1Very low44Very low160 Ų160128.1 Ų128.186%0.85663%0.626SS**  trans-66.374.3175.3-118.64.7000108.2K607 K611K607-D609 PolarHBondContact O-N 2.92Å; K607-D609 VanDerWaalsContact O-N 3.1Å; D609-K611 PolarHBondContact O-N 3.44Å
610F36.9Very low42Very low115 Ų115129.7 Ų129.750%0.50464%0.639SS.*  trans-67.2123.5147.9-74.2-80.8000105.3I608 V612I608-F610 HydrophobicContact CB-CD2 4.22Å; I608-F610 HydrophobicContact CB-CE2 4.19Å; I608-F610 HydrophobicContact CG2-CD2 3.71Å; I608-F610 HydrophobicContact CG2-CE2 3.52Å; I608-F610 HydrophobicContact CG2-CZ 4.31Å; I608-F610 PolarHBondContact O-N 3Å; F610-V612 HydrophobicContact CB-CG2 4.15Å; F610-V612 PolarHBondContact O-N 3.31Å
611K39.7Very low39.9Very low209 Ų209135.4 Ų135.491%0.90966%0.659SS**  trans-59.479.1150-94.6-176.4174.8178.40107.1D609 E613D609-K611 PolarHBondContact O-N 3.44Å; K611-E613 PolarHBondContact O-N 2.97Å; K611-E613 VanDerWaalsContact O-N 3.11Å
612V33.3Very low38.2Very low81 Ų81135.8 Ų135.849%0.49168%0.676SS.*  trans-65.6102.9147.1-176.20000102.3F610 I614F610-V612 HydrophobicContact CB-CG2 4.15Å; F610-V612 PolarHBondContact O-N 3.31Å; V612-I614 HydrophobicContact CG1-CG1 4.36Å; V612-I614 PolarHBondContact O-N 3.41Å
613E29.1Very low37Very low169 Ų169145 Ų14579%0.7971%0.706SS**  trans-55.689.9149.9-83.5-175.4155.700105.5K611 I615K611-E613 PolarHBondContact O-N 2.97Å; K611-E613 VanDerWaalsContact O-N 3.11Å; E613-I615 PolarHBondContact O-N 2.93Å
614I32.9Very low35.2Very low136 Ų136143.6 Ų143.670%0.69771%0.709SS**  trans-54.1102.4145-60.8172.1000101.5V612 K616V612-I614 HydrophobicContact CG1-CG1 4.36Å; V612-I614 PolarHBondContact O-N 3.41Å; I614-K616 PolarHBondContact O-N 3.44Å
615I31.1Very low34.3Very low151 Ų151143.2 Ų143.277%0.77472%0.715SS**  trans-54.592.1155.3-62171.8000102.7E613 E617E613-I615 PolarHBondContact O-N 2.93Å; I615-E617 PolarHBondContact O-N 2.95Å
616K30.9Very low33.5Very low167 Ų167153.1 Ų153.173%0.72675%0.749SS**  trans-51.3115.8157.1-79.9174.4176.3166.20101.9I614 P618I614-K616 PolarHBondContact O-N 3.44Å; K616-P618 VanDerWaalsContact C-N 3.32Å; K616-P618 VanDerWaalsContact O-CD 3.3Å; K616-P618 WeakPolarHBondContact O-CD 3.47Å
617E26.6Very low33.4Very low179 Ų179157.1 Ų157.184%0.83676%0.755SS**  trans-43.6117144.2-93.1-172.9160.800104.5I615 K619I615-E617 PolarHBondContact O-N 2.95Å; E617-K619 PolarHBondContact O-N 3.36Å
618P29.2Very low33.1Very low104 Ų104152 Ų15268%0.67573%0.734SS**  trans-55125-174.218.6-28.7000105.4K616 I620K616-P618 VanDerWaalsContact C-N 3.32Å; K616-P618 VanDerWaalsContact O-CD 3.3Å; K616-P618 WeakPolarHBondContact O-CD 3.47Å; P618-I620 VanDerWaalsContact C-N 3.27Å; P618-I620 PolarHBondContact O-N 3.1Å
619K29.1Very low33.2Very low180 Ų180150.8 Ų150.878%0.78374%0.737SS**  trans-44.9111156.1-80.6-178.5175.8-178.90103.8E617 F621E617-K619 PolarHBondContact O-N 3.36Å; K619-F621 PolarHBondContact O-N 3.29Å
620I27.9Very low33.6Very low157 Ų157151.7 Ų151.781%0.80573%0.734SS**  trans-6290.3166.3-62.1171000102.6P618 S622P618-I620 VanDerWaalsContact C-N 3.27Å; P618-I620 PolarHBondContact O-N 3.1Å; I620-S622 PolarHBondContact O-N 3.45Å
621F25.4Very low34.1Very low179 Ų179150.5 Ų150.579%0.78573%0.732SS**  trans-48.7110144.8-87-88.5000102.8K619 R623K619-F621 PolarHBondContact O-N 3.29Å; F621-R623 PolarHBondContact O-N 3.45Å
622S28Very low34.6Very low104 Ų104150.9 Ų150.973%0.72773%0.734SS**  trans-55.894.1158.554.60000104.8I620 S624I620-S622 PolarHBondContact O-N 3.45Å; S622-S624 PolarHBondContact O-N 3.27Å
623R29.5Very low35.3Very low231 Ų231157.2 Ų157.287%0.87275%0.754SS**  trans-54.2116.2162.9-105.4-178.4170.8178.2-1.8103.3F621 N625F621-R623 PolarHBondContact O-N 3.45Å; R623-N625 PolarHBondContact O-N 2.95Å; R623-N625 VanDerWaalsContact O-N 3.17Å
624S28.3Very low36Very low93 Ų93151.2 Ų151.265%0.6573%0.734SS**  trans-49.5128.8173570000107.2S622 R626S622-S624 PolarHBondContact O-N 3.27Å; S624-R626 PolarHBondContact O-N 3.38Å
625N37.2Very low37Very low161 Ų161153.8 Ų153.886%0.86175%0.748SS**  trans-6284.3168.5-79.2-30.3000107.2R623 K627R623-N625 PolarHBondContact O-N 2.95Å; R623-N625 VanDerWaalsContact O-N 3.17Å; N625-K627 VanDerWaalsContact C-N 3.35Å; N625-K627 PolarHBondContact O-N 2.7Å
626R35.8Very low38.4Very low226 Ų226148.5 Ų148.585%0.85372%0.723SS**  trans-62.1107158.9-84.6-172.4175.3179-0.6104.8S624 M628S624-R626 PolarHBondContact O-N 3.38Å; R626-M628 PolarHBondContact O-N 2.69Å
627K41.3Very low39.9Very low193 Ų193151.4 Ų151.484%0.83973%0.729SS**  trans-45.2125.7171.1-70177.6176177.30108.4N625 S629N625-K627 VanDerWaalsContact C-N 3.35Å; N625-K627 PolarHBondContact O-N 2.7Å; K627-S629 PolarHBondContact O-N 3.21Å
628M40.9Very low42Very low77 Ų77147.8 Ų147.838%0.37971%0.711SS.*  trans-57.5105.4171.1-135.5101.283.700107.9R626 F662 L755R626-M628 PolarHBondContact O-N 2.69Å; M628-F662 HydrophobicContact CE-CD2 4.39Å; M628-L755 HydrophobicContact CE-CD1 4.33Å; M628-L755 HydrophobicContact CE-CD2 4.05Å
629S43.4Very low44.2Very low95 Ų95143.2 Ų143.266%0.66468%0.681SS**  trans-100.411.8-175.954.90000114K627K627-S629 PolarHBondContact O-N 3.21Å
630F48.7Very low46Very low179 Ų179139.6 Ų139.679%0.78568%0.679SS**  trans-134.170.6-179.5-74-82.4000113.4
631L48.8Very low48Very low90 Ų90136 Ų13647%0.47166%0.659SS.*  trans-130.944.8166.4-96.4161.9000111.6F658L631-F658 HydrophobicContact CD1-CE2 4.32Å
632K49Very low50.5Low216 Ų216130.7 Ų130.794%0.93963%0.634SS**SBendtrans-105.72.3165.5-83.8-170.6175.2-176.40113.5
633K48.7Very low53Low214 Ų214125.8 Ų125.893%0.9360%0.599SS**SBendtrans-119.8-1.7-172.1-109-179.5177.8-179.20116.6
634A44.8Very low55.2Low43 Ų43124.2 Ų124.236%0.35559%0.594SS.*SBendtrans-121.9131.3173.500000109.6V636A634-V636 PolarHBondContact O-N 3.2Å
635L53.7Low57.7Low190 Ų190123.2 Ų123.2100%0.99558%0.581SS**  trans-68.914-175.8-120.295.4000114.4
636V60.2Low59.7Low41 Ų41115.6 Ų115.625%0.24854%0.54CS..  trans-91.7111.6-172.7-1740000109.9A634 K638 E657 F658A634-V636 PolarHBondContact O-N 3.2Å; V636-K638 PolarHBondContact O-N 3Å; V636-E657 HydrophobicContact CG1-CB 4.23Å; V636-F658 HydrophobicContact CG1-CB 4.31Å; V636-F658 HydrophobicContact CG1-CD2 4.27Å
637R61.7Low61.7Low228 Ų228107.9 Ų107.986%0.8652%0.519SS*.PPolyproline II helixtrans-73125.4-179.9-169.4174.4-176.51700.5110P639R637-P639 WeakPolarHBondContact O-CD 3.37Å
638K71.3Confident63.6Low102 Ų102101.7 Ų101.744%0.44349%0.492SS..PPolyproline II helixtrans-56.7127.6173.9-177.9174.9179.1-179.20110.3V636 F658 L755 F756V636-K638 PolarHBondContact O-N 3Å; K638-F658 HydrophobicContact CB-CD2 4.45Å; K638-F658 HydrophobicContact CB-CE2 3.91Å; K638-F658 HydrophobicContact CB-CZ 4Å; K638-F658 HydrophobicContact CD-CE1 4.45Å; K638-F658 HydrophobicContact CD-CZ 4.07Å; K638-F658 HydrophobicContact CG-CE1 3.93Å; K638-F658 HydrophobicContact CG-CE2 4.15Å; K638-F658 HydrophobicContact CG-CZ 3.72Å; K638-L755 VanDerWaalsContact CE-O 3.32Å; K638-L755 WeakPolarHBondContact CE-O 3.08Å; K638-L755 PolarHBondContact NZ-O 3.38Å; K638-F756 HydrophobicContact CG-CE1 3.98Å
639P75.5Confident65.5Low8 Ų898 Ų985%0.05247%0.474CS..PPolyproline II helixtrans-58.7144.9176.9-26.635.3000112.4R637 M641 Q654 H655 F658 F756R637-P639 WeakPolarHBondContact O-CD 3.37Å; P639-M641 VanDerWaalsContact C-N 3.3Å; P639-M641 PolarHBondContact O-N 3.03Å; P639-Q654 HydrophobicContact CG-CB 4.49Å; P639-H655 WeakPolarHBondContact CB-CE1 3.35Å; P639-H655 WeakPolarHBondContact CB-NE2 3.44Å; P639-F658 HydrophobicContact CG-CB 4.1Å; P639-F658 HydrophobicContact CG-CD1 4.5Å; P639-F658 HydrophobicContact CG-CG 4.41Å; P639-F756 HydrophobicContact CB-CE1 4.16Å; P639-F756 WeakPolarHBondContact O-CE1 3.08Å
640S66.6Low67.1Low105 Ų10594.3 Ų94.373%0.73445%0.447SS*.SBendtrans-78.2-16.8-176.852.70000113.5
641M69.3Low68.4Low81 Ų8191.8 Ų91.840%0.39944%0.441SS..SBendtrans-121.2129.9-163.3-74.6-74.176.300110.8P639 P643 H655 R759P639-M641 VanDerWaalsContact C-N 3.3Å; P639-M641 PolarHBondContact O-N 3.03Å; M641-P643 WeakPolarHBondContact O-CD 3.46Å; M641-H655 PolarHBondContact O-CE1 3.33Å; M641-H655 PolarHBondContact O-NE2 3.44Å; M641-R759 VanDerWaalsContact CB-NH2 3.29Å; M641-R759 HydrophobicContact CE-CG 4.39Å; M641-R759 PolarHBondContact SD-NE 3.5Å; M641-R759 VanDerWaalsContact SD-NE 3.43Å; M641-R759 PolarHBondContact SD-NH1 3.3Å; M641-R759 PolarHBondContact SD-NH2 3.06Å
642R78.6Confident69.9Low68 Ų6890.2 Ų90.226%0.25743%0.433SS..  trans-65.9125.4174.2-173.6172179.31506.3109.7Q753 D754 F756 R759R642-Q753 PolarHBondContact NE-O 3.42Å; R642-D754 IonicContact CZ-OD1 3.95Å; R642-D754 IonicContact NH2-OD1 2.74Å; R642-D754 PolarHBondContact NH2-OD1 2.83Å; R642-F756 HydrophobicContact CB-CB 3.65Å; R642-F756 HydrophobicContact CB-CG 4.34Å; R642-F756 HydrophobicContact CG-CB 3.94Å; R642-R759 PolarHBondContact O-NH2 3.04Å
643P80.9Confident71.3Confident0 Ų084.7 Ų84.70%042%0.418CS..  trans-77.3143.2176.128.7-28.7000110.5M641 V649 F749 Y752 Q753M641-P643 WeakPolarHBondContact O-CD 3.46Å; P643-V649 HydrophobicContact CB-CG2 3.61Å; P643-V649 HydrophobicContact CG-CG2 3.66Å; P643-F749 HydrophobicContact CG-CE2 4.32Å; P643-Y752 HydrophobicContact CG-CD1 4.25Å; P643-Y752 HydrophobicContact CG-CE1 3.81Å; P643-Q753 PolarHBondContact O-NE2 3.11Å
644R74.9Confident72.6Confident198 Ų19880.3 Ų80.375%0.74740%0.401SS*.SBendtrans-85.2-36.7-174-64.5178.7176.4-179.8-1.3112.8E648 Q753R644-E648 WeakPolarHBondContact CB-OE2 3.3Å; R644-E648 PolarHBondContact N-OE2 2.93Å; R644-Q753 PolarHBondContact O-NE2 3.21Å
645N80.4Confident74.4Confident72 Ų7278.5 Ų78.539%0.38539%0.385SS..SBendtrans-142.9165178.858.723000111.2T647 E648 V649 F749N645-T647 PolarHBondContact O-N 3.13Å; N645-E648 PolarHBondContact O-N 2.89Å; N645-E648 VanDerWaalsContact OD1-CB 3.26Å; N645-E648 WeakPolarHBondContact OD1-CB 3.36Å; N645-E648 PolarHBondContact OD1-N 3.35Å; N645-V649 PolarHBondContact O-N 2.76Å; N645-F749 VanDerWaalsContact CA-CZ 3.44Å; N645-F749 WeakPolarHBondContact O-CZ 3.47Å
646L79.3Confident75.8Confident1 Ų170.9 Ų70.91%0.00535%0.345CS..Hα-helixtrans-64-29.2-179.8-175.163000111.8E648 V649 L650 F659 M741 I744 E745 F749L646-E648 PolarHBondContact O-N 2.89Å; L646-V649 HydrophobicContact CD1-CB 4.39Å; L646-V649 WeakPolarHBondContact O-CB 3.4Å; L646-V649 PolarHBondContact O-N 2.75Å; L646-V649 VanDerWaalsContact O-N 3.13Å; L646-L650 WeakPolarHBondContact O-CG 3.46Å; L646-L650 PolarHBondContact O-N 3.08Å; L646-F659 HydrophobicContact CD1-CE1 3.71Å; L646-F659 HydrophobicContact CD1-CZ 3.89Å; L646-M741 HydrophobicContact CB-CE 4.35Å; L646-M741 HydrophobicContact CD2-CE 4.49Å; L646-M741 HydrophobicContact CD2-CG 3.82Å; L646-M741 WeakPolarHBondContact CD2-O 3.41Å; L646-M741 HydrophobicContact CG-CE 4.38Å; L646-I744 HydrophobicContact CD1-CG2 4.17Å; L646-I744 HydrophobicContact CD2-CB 4.08Å; L646-I744 HydrophobicContact CD2-CG2 3.89Å; L646-E745 HydrophobicContact CD2-CB 4.05Å; L646-F749 HydrophobicContact CB-CD2 4.25Å; L646-F749 HydrophobicContact CB-CE2 4.48Å; L646-F749 HydrophobicContact CB-CG 4.34Å; L646-F749 HydrophobicContact CD1-CD2 3.93Å; L646-F749 HydrophobicContact CD1-CG 4.41Å
647T78.4Confident76.7Confident65 Ų6574 Ų7440%0.39936%0.357SS..Hα-helixtrans-62.8-39.2175.6-36.50000112.3N645 V649 L650 L651 M741N645-T647 PolarHBondContact O-N 3.13Å; T647-V649 VanDerWaalsContact C-N 3.27Å; T647-V649 PolarHBondContact O-N 3.42Å; T647-L650 PolarHBondContact O-N 3.32Å; T647-L651 HydrophobicContact CG2-CD1 3.98Å; T647-L651 HydrophobicContact CG2-CG 4.41Å; T647-L651 WeakPolarHBondContact O-CB 3.3Å; T647-L651 VanDerWaalsContact O-CG 3.24Å; T647-L651 WeakPolarHBondContact O-CG 3.3Å; T647-L651 PolarHBondContact O-N 3.14Å; T647-M741 HydrophobicContact CG2-CE 4.43Å; T647-M741 WeakPolarHBondContact OG1-CE 3.28Å
648E79.6Confident77.6Confident62 Ų6263.8 Ų63.829%0.2932%0.319SS..Hα-helixtrans-64.5-33.7174.2-173178.1-174.400111.4R644 N645 L646 N652R644-E648 WeakPolarHBondContact CB-OE2 3.3Å; R644-E648 PolarHBondContact N-OE2 2.93Å; N645-E648 PolarHBondContact O-N 2.89Å; N645-E648 VanDerWaalsContact OD1-CB 3.26Å; N645-E648 WeakPolarHBondContact OD1-CB 3.36Å; N645-E648 PolarHBondContact OD1-N 3.35Å; L646-E648 PolarHBondContact O-N 2.89Å; E648-N652 WeakPolarHBondContact O-CB 3.3Å; E648-N652 PolarHBondContact O-N 3.41Å
649V81.2Confident78.2Confident0 Ų059 Ų590%030%0.298CS..Hα-helixtrans-67.7-41.5173.5176.30000111.4P643 N645 L646 T647 H655 L656 F659 F749 Y752P643-V649 HydrophobicContact CB-CG2 3.61Å; P643-V649 HydrophobicContact CG-CG2 3.66Å; N645-V649 PolarHBondContact O-N 2.76Å; L646-V649 HydrophobicContact CD1-CB 4.39Å; L646-V649 WeakPolarHBondContact O-CB 3.4Å; L646-V649 PolarHBondContact O-N 2.75Å; L646-V649 VanDerWaalsContact O-N 3.13Å; T647-V649 VanDerWaalsContact C-N 3.27Å; T647-V649 PolarHBondContact O-N 3.42Å; V649-H655 HydrophobicContact CB-CB 4.36Å; V649-H655 HydrophobicContact CG1-CB 4.16Å; V649-H655 HydrophobicContact CG2-CB 4.42Å; V649-L656 WeakPolarHBondContact O-CB 3.35Å; V649-L656 PolarHBondContact O-N 3.34Å; V649-F659 HydrophobicContact CG1-CB 3.59Å; V649-F659 HydrophobicContact CG1-CD1 3.68Å; V649-F659 HydrophobicContact CG1-CD2 4.42Å; V649-F659 HydrophobicContact CG1-CE1 4.44Å; V649-F659 HydrophobicContact CG1-CG 3.66Å; V649-F749 HydrophobicContact CG2-CD2 4.37Å; V649-F749 HydrophobicContact CG2-CE2 3.67Å; V649-Y752 HydrophobicContact CG1-CE1 4.36Å; V649-Y752 HydrophobicContact CG2-CD1 4.38Å; V649-Y752 HydrophobicContact CG2-CE1 3.87Å
650L77.5Confident78.6Confident18 Ų1861.7 Ų61.79%0.09431%0.307CS..Hα-helixtrans-73.8-29-179.9-66176.4000113.2L646 T647 L656 L672 L675 M741L646-L650 WeakPolarHBondContact O-CG 3.46Å; L646-L650 PolarHBondContact O-N 3.08Å; T647-L650 PolarHBondContact O-N 3.32Å; L650-L656 HydrophobicContact CD2-CD1 4.46Å; L650-L656 WeakPolarHBondContact O-CD1 3.19Å; L650-L672 HydrophobicContact CD2-CD1 3.51Å; L650-L675 HydrophobicContact CD1-CD1 4.4Å; L650-M741 HydrophobicContact CD1-CE 3.89Å; L650-M741 HydrophobicContact CD1-SD 4.32Å
651L76.8Confident79.2Confident126 Ų12660 Ų6066%0.6629%0.287SS*.Hα-helixtrans-85.3-27179.1-69.2171.6000113.3T647T647-L651 HydrophobicContact CG2-CD1 3.98Å; T647-L651 HydrophobicContact CG2-CG 4.41Å; T647-L651 WeakPolarHBondContact O-CB 3.3Å; T647-L651 VanDerWaalsContact O-CG 3.24Å; T647-L651 WeakPolarHBondContact O-CG 3.3Å; T647-L651 PolarHBondContact O-N 3.14Å
652N79.4Confident80Confident56 Ų5656.5 Ų56.530%0.29927%0.27SS..  trans-94.4114.5-179.7-175.5-35.1000110.6E648 Q654 H655 L656E648-N652 WeakPolarHBondContact O-CB 3.3Å; E648-N652 PolarHBondContact O-N 3.41Å; N652-Q654 VanDerWaalsContact C-N 3.28Å; N652-Q654 PolarHBondContact O-N 3.21Å; N652-Q654 PolarHBondContact OD1-N 3.34Å; N652-H655 HydrophobicContact CB-CB 4.16Å; N652-H655 PolarHBondContact O-N 2.63Å; N652-H655 VanDerWaalsContact O-N 3.1Å; N652-H655 PolarHBondContact OD1-N 2.86Å; N652-L656 WeakPolarHBondContact O-CB 3.37Å; N652-L656 PolarHBondContact O-N 3.01Å
653T78.4Confident80.2Confident101 Ų10153.3 Ų53.362%0.6226%0.258SS*.Hα-helixtrans-54.9-39.4-176.7490000113.5L656 E657T653-L656 PolarHBondContact O-N 3.08Å; T653-E657 WeakPolarHBondContact O-CG 3.31Å; T653-E657 PolarHBondContact O-N 3.2Å; T653-E657 VanDerWaalsContact O-N 3.09Å
654Q76.9Confident80.2Confident122 Ų12258.5 Ų58.557%0.5728%0.28SS*.Hα-helixtrans-71.3-37.7179.8-63.3-178.5-11.300112.4P639 N652 F658P639-Q654 HydrophobicContact CG-CB 4.49Å; N652-Q654 VanDerWaalsContact C-N 3.28Å; N652-Q654 PolarHBondContact O-N 3.21Å; N652-Q654 PolarHBondContact OD1-N 3.34Å; Q654-F658 WeakPolarHBondContact O-CB 3.34Å; Q654-F658 PolarHBondContact O-N 2.69Å
655H82.1Confident80.3Confident5 Ų554.6 Ų54.62%0.02327%0.271CS..Hα-helixtrans-71.8-38.6174.8-86.4-71.5000111.8P639 M641 V649 N652 F658 F659 Y752P639-H655 WeakPolarHBondContact CB-CE1 3.35Å; P639-H655 WeakPolarHBondContact CB-NE2 3.44Å; M641-H655 PolarHBondContact O-CE1 3.33Å; M641-H655 PolarHBondContact O-NE2 3.44Å; V649-H655 HydrophobicContact CB-CB 4.36Å; V649-H655 HydrophobicContact CG1-CB 4.16Å; V649-H655 HydrophobicContact CG2-CB 4.42Å; N652-H655 HydrophobicContact CB-CB 4.16Å; N652-H655 PolarHBondContact O-N 2.63Å; N652-H655 VanDerWaalsContact O-N 3.1Å; N652-H655 PolarHBondContact OD1-N 2.86Å; H655-F658 PolarHBondContact O-N 3.03Å; H655-F659 WeakPolarHBondContact O-CB 3.38Å; H655-F659 PolarHBondContact O-N 3.39Å; H655-Y752 AromaticContact ND1-CZ 3.99Å; H655-Y752 PolarHBondContact ND1-OH 2.92Å; H655-Y752 VanDerWaalsContact ND1-OH 3.08Å; H655-Y752 PolarHBondContact O-OH 2.83Å
656L81.7Confident80.2Confident30 Ų3055.1 Ų55.116%0.15727%0.267CS..Hα-helixtrans-62.1-44.4178.3-173.1148.2000111.6V649 L650 N652 T653 F659 R660 I676V649-L656 WeakPolarHBondContact O-CB 3.35Å; V649-L656 PolarHBondContact O-N 3.34Å; L650-L656 HydrophobicContact CD2-CD1 4.46Å; L650-L656 WeakPolarHBondContact O-CD1 3.19Å; N652-L656 WeakPolarHBondContact O-CB 3.37Å; N652-L656 PolarHBondContact O-N 3.01Å; T653-L656 PolarHBondContact O-N 3.08Å; L656-F659 PolarHBondContact O-N 3.45Å; L656-R660 WeakPolarHBondContact O-CB 3.41Å; L656-R660 PolarHBondContact O-N 3.3Å; L656-I676 HydrophobicContact CD1-CD1 4.2Å; L656-I676 HydrophobicContact CD1-CG1 4.44Å; L656-I676 HydrophobicContact CD2-CD1 4.05Å; L656-I676 HydrophobicContact CG-CD1 4.47Å
657E79.6Confident80.1Confident107 Ų10764 Ų6450%0.531%0.306SS..Hα-helixtrans-66.3-44.7177.2-73.2176.9-176.600112.2V636 T653 F659 R660 E661V636-E657 HydrophobicContact CG1-CB 4.23Å; T653-E657 WeakPolarHBondContact O-CG 3.31Å; T653-E657 PolarHBondContact O-N 3.2Å; T653-E657 VanDerWaalsContact O-N 3.09Å; E657-F659 VanDerWaalsContact C-N 3.32Å; E657-F659 PolarHBondContact O-N 3.47Å; E657-R660 WeakPolarHBondContact O-CB 3.41Å; E657-R660 PolarHBondContact O-N 3.36Å; E657-E661 PolarHBondContact O-N 3.26Å
658F80.8Confident80.1Confident13 Ų1361 Ų616%0.05729%0.287CS..Hα-helixtrans-67.7-34.5177.6-168.8-107.4000112.1L631 V636 K638 P639 Q654 H655 F662 Y752 L755 F756L631-F658 HydrophobicContact CD1-CE2 4.32Å; V636-F658 HydrophobicContact CG1-CB 4.31Å; V636-F658 HydrophobicContact CG1-CD2 4.27Å; K638-F658 HydrophobicContact CB-CD2 4.45Å; K638-F658 HydrophobicContact CB-CE2 3.91Å; K638-F658 HydrophobicContact CB-CZ 4Å; K638-F658 HydrophobicContact CD-CE1 4.45Å; K638-F658 HydrophobicContact CD-CZ 4.07Å; K638-F658 HydrophobicContact CG-CE1 3.93Å; K638-F658 HydrophobicContact CG-CE2 4.15Å; K638-F658 HydrophobicContact CG-CZ 3.72Å; P639-F658 HydrophobicContact CG-CB 4.1Å; P639-F658 HydrophobicContact CG-CD1 4.5Å; P639-F658 HydrophobicContact CG-CG 4.41Å; Q654-F658 WeakPolarHBondContact O-CB 3.34Å; Q654-F658 PolarHBondContact O-N 2.69Å; H655-F658 PolarHBondContact O-N 3.03Å; F658-F662 WeakPolarHBondContact O-CB 3.5Å; F658-F662 PolarHBondContact O-N 3.47Å; F658-F662 VanDerWaalsContact O-N 3.11Å; F658-Y752 AromaticContact CD1-CE2 3.55Å; F658-Y752 HydrophobicContact CD1-CE2 3.55Å; F658-Y752 AromaticContact CD1-CZ 3.96Å; F658-Y752 HydrophobicContact CE1-CE2 4.02Å; F658-L755 HydrophobicContact CE1-CD1 4.34Å; F658-F756 HydrophobicContact CD1-CZ 4.16Å; F658-F756 HydrophobicContact CE1-CZ 4.14Å
659F84.3Confident80.2Confident0 Ų059.8 Ų59.80%028%0.282CS..Hα-helixtrans-71.9-34.7175.4-172.1-123000112.1L646 V649 H655 L656 E657 F662 L663 L672 I744 Y752L646-F659 HydrophobicContact CD1-CE1 3.71Å; L646-F659 HydrophobicContact CD1-CZ 3.89Å; V649-F659 HydrophobicContact CG1-CB 3.59Å; V649-F659 HydrophobicContact CG1-CD1 3.68Å; V649-F659 HydrophobicContact CG1-CD2 4.42Å; V649-F659 HydrophobicContact CG1-CE1 4.44Å; V649-F659 HydrophobicContact CG1-CG 3.66Å; H655-F659 WeakPolarHBondContact O-CB 3.38Å; H655-F659 PolarHBondContact O-N 3.39Å; L656-F659 PolarHBondContact O-N 3.45Å; E657-F659 VanDerWaalsContact C-N 3.32Å; E657-F659 PolarHBondContact O-N 3.47Å; F659-F662 AromaticContact CD2-CD1 3.92Å; F659-F662 HydrophobicContact CD2-CD1 3.92Å; F659-F662 AromaticContact CE2-CD1 3.92Å; F659-F662 HydrophobicContact CE2-CD1 3.92Å; F659-F662 HydrophobicContact CE2-CE1 4.2Å; F659-F662 WeakPolarHBondContact O-CB 3.44Å; F659-F662 PolarHBondContact O-N 3.34Å; F659-L663 HydrophobicContact CD1-CD1 3.98Å; F659-L663 HydrophobicContact CE1-CD1 3.58Å; F659-L663 HydrophobicContact CE1-CG 4.24Å; F659-L663 HydrophobicContact CE2-CD1 4.43Å; F659-L663 HydrophobicContact CE2-CD2 4.34Å; F659-L663 HydrophobicContact CE2-CG 4.24Å; F659-L663 HydrophobicContact CZ-CD1 3.84Å; F659-L663 HydrophobicContact CZ-CD2 4.2Å; F659-L663 HydrophobicContact CZ-CG 4.1Å; F659-L663 WeakPolarHBondContact O-CG 3.44Å; F659-L663 PolarHBondContact O-N 2.78Å; F659-L672 HydrophobicContact CD1-CD1 4.3Å; F659-L672 HydrophobicContact CD1-CD2 4.22Å; F659-L672 HydrophobicContact CE1-CD1 4.45Å; F659-I744 HydrophobicContact CE1-CG2 3.84Å; F659-I744 HydrophobicContact CZ-CG2 3.64Å; F659-Y752 HydrophobicContact CB-CE1 4.43Å; F659-Y752 HydrophobicContact CB-CE2 3.94Å; F659-Y752 AromaticContact CD2-CD1 3.85Å; F659-Y752 HydrophobicContact CD2-CD1 3.85Å; F659-Y752 AromaticContact CD2-CD2 3.51Å; F659-Y752 HydrophobicContact CD2-CD2 3.51Å; F659-Y752 HydrophobicContact CD2-CE1 4.1Å; F659-Y752 AromaticContact CD2-CE2 3.75Å; F659-Y752 HydrophobicContact CD2-CE2 3.75Å; F659-Y752 AromaticContact CD2-CG 3.53Å; F659-Y752 HydrophobicContact CD2-CG 3.53Å; F659-Y752 HydrophobicContact CE2-CD1 4.24Å; F659-Y752 HydrophobicContact CE2-CD2 4.2Å; F659-Y752 AromaticContact CE2-CG 3.87Å; F659-Y752 HydrophobicContact CE2-CG 3.87Å; F659-Y752 HydrophobicContact CG-CE2 4.34Å
660R82.9Confident80.2Confident65 Ų6561.7 Ų61.725%0.24530%0.295CS..Hα-helixtrans-59.9-49.3172.6-178.9-170.3-67.2-91.12.5111.5L656 E657 F662 L663 K664 E669 L672L656-R660 WeakPolarHBondContact O-CB 3.41Å; L656-R660 PolarHBondContact O-N 3.3Å; E657-R660 WeakPolarHBondContact O-CB 3.41Å; E657-R660 PolarHBondContact O-N 3.36Å; R660-F662 VanDerWaalsContact C-N 3.33Å; R660-F662 PolarHBondContact O-N 2.96Å; R660-L663 PolarHBondContact O-N 3.19Å; R660-K664 WeakPolarHBondContact O-CB 3.26Å; R660-K664 PolarHBondContact O-N 3.48Å; R660-E669 HydrophobicContact CG-CG 4.11Å; R660-E669 IonicContact NH1-OE1 3.98Å; R660-E669 PolarHBondContact NH1-OE1 2.9Å; R660-E669 VanDerWaalsContact NH1-OE1 3.1Å; R660-L672 HydrophobicContact CB-CD2 3.83Å; R660-L672 HydrophobicContact CG-CD2 4.32Å
661E80.4Confident80.5Confident70 Ų7061 Ų6133%0.32729%0.292SS..Hα-helixtrans-64.5-38.2177.6-71.4-61.1134.100111.9E657 L663 K664 E665E657-E661 PolarHBondContact O-N 3.26Å; E661-L663 VanDerWaalsContact C-N 3.34Å; E661-L663 PolarHBondContact O-N 2.74Å; E661-K664 PolarHBondContact O-N 3.4Å; E661-K664 IonicContact OE1-NZ 3.93Å; E661-E665 PolarHBondContact O-N 3.45Å
662F85.2Confident80.8Confident8 Ų855 Ų554%0.03526%0.261CS..Hα-helixtrans-59.1-42.6172.9170.6-96.3000112.7M628 F658 F659 R660 R666 W748 D751 Y752 L755M628-F662 HydrophobicContact CE-CD2 4.39Å; F658-F662 WeakPolarHBondContact O-CB 3.5Å; F658-F662 PolarHBondContact O-N 3.47Å; F658-F662 VanDerWaalsContact O-N 3.11Å; F659-F662 AromaticContact CD2-CD1 3.92Å; F659-F662 HydrophobicContact CD2-CD1 3.92Å; F659-F662 AromaticContact CE2-CD1 3.92Å; F659-F662 HydrophobicContact CE2-CD1 3.92Å; F659-F662 HydrophobicContact CE2-CE1 4.2Å; F659-F662 WeakPolarHBondContact O-CB 3.44Å; F659-F662 PolarHBondContact O-N 3.34Å; R660-F662 VanDerWaalsContact C-N 3.33Å; R660-F662 PolarHBondContact O-N 2.96Å; F662-R666 VanDerWaalsContact CZ-CZ 3.48Å; F662-W748 HydrophobicContact CE1-CB 4.34Å; F662-D751 HydrophobicContact CZ-CB 3.93Å; F662-Y752 HydrophobicContact CB-CD2 4.18Å; F662-Y752 HydrophobicContact CB-CE2 4.42Å; F662-Y752 HydrophobicContact CD1-CD2 4.01Å; F662-Y752 HydrophobicContact CD2-CD2 4.3Å; F662-Y752 HydrophobicContact CE1-CD2 4.48Å; F662-Y752 AromaticContact CG-CD2 3.91Å; F662-Y752 HydrophobicContact CG-CD2 3.91Å; F662-L755 HydrophobicContact CD2-CD1 3.8Å; F662-L755 HydrophobicContact CE2-CD1 3.94Å
663L83.5Confident80.9Confident0 Ų056 Ų560%026%0.263CS..Hα-helixtrans-74.2-33.6177.4-71.6-178.8000112.4F659 R660 E661 R666 K667 A668 L672 W748F659-L663 HydrophobicContact CD1-CD1 3.98Å; F659-L663 HydrophobicContact CE1-CD1 3.58Å; F659-L663 HydrophobicContact CE1-CG 4.24Å; F659-L663 HydrophobicContact CE2-CD1 4.43Å; F659-L663 HydrophobicContact CE2-CD2 4.34Å; F659-L663 HydrophobicContact CE2-CG 4.24Å; F659-L663 HydrophobicContact CZ-CD1 3.84Å; F659-L663 HydrophobicContact CZ-CD2 4.2Å; F659-L663 HydrophobicContact CZ-CG 4.1Å; F659-L663 WeakPolarHBondContact O-CG 3.44Å; F659-L663 PolarHBondContact O-N 2.78Å; R660-L663 PolarHBondContact O-N 3.19Å; E661-L663 VanDerWaalsContact C-N 3.34Å; E661-L663 PolarHBondContact O-N 2.74Å; L663-R666 CarbonylContact O-C 3.53Å; L663-R666 PolarHBondContact O-N 3.36Å; L663-R666 VanDerWaalsContact O-N 3.1Å; L663-K667 PolarHBondContact O-N 3.22Å; L663-K667 VanDerWaalsContact O-N 3.13Å; L663-A668 HydrophobicContact CB-CB 4.43Å; L663-A668 HydrophobicContact CD2-CB 4.09Å; L663-A668 PolarHBondContact O-N 2.77Å; L663-L672 HydrophobicContact CD1-CB 3.86Å; L663-L672 HydrophobicContact CD1-CD2 4.05Å; L663-L672 HydrophobicContact CD1-CG 4.44Å; L663-W748 HydrophobicContact CD2-CB 3.74Å; L663-W748 HydrophobicContact CD2-CD2 4.21Å; L663-W748 HydrophobicContact CD2-CG 3.63Å
664K81.7Confident81.1Confident109 Ų10951.2 Ų51.247%0.47423%0.234SC..Hα-helixtrans-62.8-42.5176.7-171.8177.1-178.2-179.40112.2R660 E661 R666 K667 E669R660-K664 WeakPolarHBondContact O-CB 3.26Å; R660-K664 PolarHBondContact O-N 3.48Å; E661-K664 PolarHBondContact O-N 3.4Å; E661-K664 IonicContact OE1-NZ 3.93Å; K664-R666 PolarHBondContact O-N 3.45Å; K664-K667 PolarHBondContact O-N 2.83Å; K664-K667 VanDerWaalsContact O-N 3.11Å; K664-E669 WeakPolarHBondContact CG-OE2 3.33Å
665E76.8Confident81.4Confident116 Ų11645.4 Ų45.454%0.54221%0.207SC..Hα-helixtrans-59.4-29.6173.8-168.5178.2177.600112.2E661E661-E665 PolarHBondContact O-N 3.45Å
666R76.9Confident81.3Confident84 Ų8446.5 Ų46.532%0.31721%0.212SC..THydrogen-bonded Turntrans-9810.8-179.3-60.5-172.4177-154.32.3114F662 L663 K664 A668 W748 D751F662-R666 VanDerWaalsContact CZ-CZ 3.48Å; L663-R666 CarbonylContact O-C 3.53Å; L663-R666 PolarHBondContact O-N 3.36Å; L663-R666 VanDerWaalsContact O-N 3.1Å; K664-R666 PolarHBondContact O-N 3.45Å; R666-A668 PolarHBondContact O-N 3.49Å; R666-W748 HydrophobicContact CB-CH2 4.23Å; R666-W748 HydrophobicContact CB-CZ3 4.27Å; R666-W748 VanDerWaalsContact CD-CZ3 3.5Å; R666-W748 HydrophobicContact CG-CZ3 4.47Å; R666-D751 IonicContact CZ-OD2 3.3Å; R666-D751 IonicContact NH1-OD2 3.63Å; R666-D751 PolarHBondContact NH1-OD2 3.35Å; R666-D751 IonicContact NH2-OD2 2.68Å
667K77.5Confident81.3Confident187 Ų18746.2 Ų46.281%0.81321%0.214SC*.THydrogen-bonded Turntrans55.134.2-176.9-56.1-176.7178-176.10113.5L663 K664 Q713L663-K667 PolarHBondContact O-N 3.22Å; L663-K667 VanDerWaalsContact O-N 3.13Å; K664-K667 PolarHBondContact O-N 2.83Å; K664-K667 VanDerWaalsContact O-N 3.11Å; K667-Q713 PolarHBondContact O-NE2 3.03Å
668A79.8Confident81.4Confident1 Ų141.2 Ų41.21%0.00819%0.191CC..  trans-122.830.4-176.800000112.4L663 R666 P671 W748L663-A668 HydrophobicContact CB-CB 4.43Å; L663-A668 HydrophobicContact CD2-CB 4.09Å; L663-A668 PolarHBondContact O-N 2.77Å; R666-A668 PolarHBondContact O-N 3.49Å; A668-P671 WeakPolarHBondContact O-CD 3.3Å; A668-W748 HydrophobicContact CB-CZ2 3.92Å
669E81.7Confident81.3Confident37 Ų3743.3 Ų43.317%0.17320%0.201CC..Hα-helixtrans-75.2-33.9-178.7-163.2-174.5161.700112.7R660 K664 L672 Q673R660-E669 HydrophobicContact CG-CG 4.11Å; R660-E669 IonicContact NH1-OE1 3.98Å; R660-E669 PolarHBondContact NH1-OE1 2.9Å; R660-E669 VanDerWaalsContact NH1-OE1 3.1Å; K664-E669 WeakPolarHBondContact CG-OE2 3.33Å; E669-L672 WeakPolarHBondContact O-CB 3.35Å; E669-L672 PolarHBondContact O-N 3.48Å; E669-L672 VanDerWaalsContact O-N 3.08Å; E669-Q673 VanDerWaalsContact CD-NE2 3.31Å; E669-Q673 HydrophobicContact CG-CG 4.21Å; E669-Q673 PolarHBondContact O-N 2.78Å; E669-Q673 PolarHBondContact OE1-NE2 3.2Å
670S80.9Confident81Confident41 Ų4149.9 Ų49.929%0.28723%0.23SC..Hα-helixtrans-56.7-42.5-174.8-52.20000114.6L672 Q673 F674 F701 M711S670-L672 VanDerWaalsContact C-N 3.34Å; S670-L672 PolarHBondContact O-N 3.43Å; S670-Q673 PolarHBondContact O-N 2.94Å; S670-F674 PolarHBondContact O-N 3.11Å; S670-F701 WeakPolarHBondContact O-CE1 3.48Å; S670-M711 WeakPolarHBondContact CB-O 3.43Å
671P82.6Confident80.9Confident3 Ų347 Ų472%0.01922%0.219CC..Hα-helixtrans-61.5-37.3174.4-22.933.9000113.4A668 F674 L675 L712 Q713 I740 I744A668-P671 WeakPolarHBondContact O-CD 3.3Å; P671-F674 PolarHBondContact O-N 2.81Å; P671-L675 WeakPolarHBondContact O-CG 3.5Å; P671-L675 PolarHBondContact O-N 3.27Å; P671-L675 VanDerWaalsContact O-N 3.1Å; P671-L712 WeakPolarHBondContact CG-O 3.5Å; P671-Q713 HydrophobicContact CG-CB 4.13Å; P671-Q713 HydrophobicContact CG-CG 4.24Å; P671-I740 HydrophobicContact CB-CG2 4.01Å; P671-I744 HydrophobicContact CB-CD1 3.69Å; P671-I744 HydrophobicContact CB-CG1 4.04Å
672L82.8Confident80.6Confident1 Ų146.6 Ų46.61%0.00522%0.224CC..Hα-helixtrans-70.2-38.6176.8-178.966.4000111.3L650 F659 R660 L663 E669 S670 F674 L675 I676L650-L672 HydrophobicContact CD2-CD1 3.51Å; F659-L672 HydrophobicContact CD1-CD1 4.3Å; F659-L672 HydrophobicContact CD1-CD2 4.22Å; F659-L672 HydrophobicContact CE1-CD1 4.45Å; R660-L672 HydrophobicContact CB-CD2 3.83Å; R660-L672 HydrophobicContact CG-CD2 4.32Å; L663-L672 HydrophobicContact CD1-CB 3.86Å; L663-L672 HydrophobicContact CD1-CD2 4.05Å; L663-L672 HydrophobicContact CD1-CG 4.44Å; E669-L672 WeakPolarHBondContact O-CB 3.35Å; E669-L672 PolarHBondContact O-N 3.48Å; E669-L672 VanDerWaalsContact O-N 3.08Å; S670-L672 VanDerWaalsContact C-N 3.34Å; S670-L672 PolarHBondContact O-N 3.43Å; L672-F674 VanDerWaalsContact C-N 3.31Å; L672-F674 PolarHBondContact O-N 3.02Å; L672-L675 PolarHBondContact O-N 3.34Å; L672-I676 HydrophobicContact CD1-CD1 4.42Å; L672-I676 HydrophobicContact CG-CD1 4.1Å; L672-I676 WeakPolarHBondContact O-CG1 3.41Å; L672-I676 PolarHBondContact O-N 3.46Å; L672-I676 VanDerWaalsContact O-N 3.08Å
673Q81.8Confident80.1Confident76 Ų7653 Ų5336%0.35526%0.256SS..Hα-helixtrans-62.5-39.3174.6-68.9-179-400111.7E669 S670 I676 A677 F701E669-Q673 VanDerWaalsContact CD-NE2 3.31Å; E669-Q673 HydrophobicContact CG-CG 4.21Å; E669-Q673 PolarHBondContact O-N 2.78Å; E669-Q673 PolarHBondContact OE1-NE2 3.2Å; S670-Q673 PolarHBondContact O-N 2.94Å; Q673-I676 PolarHBondContact O-N 3.08Å; Q673-A677 WeakPolarHBondContact O-CB 3.44Å; Q673-A677 PolarHBondContact O-N 3.23Å; Q673-F701 HydrophobicContact CB-CE1 4.48Å; Q673-F701 HydrophobicContact CB-CZ 4.02Å
674F84.1Confident79.8Confident0 Ų056.6 Ų56.60%027%0.273CS..Hα-helixtrans-61.5-48.3173.3179.1-91.7000112S670 P671 L672 I676 A677 V678 V697 F701 F702 L712 L733 L736 I740S670-F674 PolarHBondContact O-N 3.11Å; P671-F674 PolarHBondContact O-N 2.81Å; L672-F674 VanDerWaalsContact C-N 3.31Å; L672-F674 PolarHBondContact O-N 3.02Å; F674-I676 VanDerWaalsContact C-N 3.3Å; F674-I676 PolarHBondContact O-N 3Å; F674-A677 PolarHBondContact O-N 3.45Å; F674-A677 VanDerWaalsContact O-N 3.11Å; F674-V678 HydrophobicContact CD1-CG2 4.09Å; F674-V678 HydrophobicContact CD2-CG2 4.45Å; F674-V678 HydrophobicContact CE1-CG2 3.54Å; F674-V678 HydrophobicContact CE2-CG2 3.95Å; F674-V678 HydrophobicContact CZ-CG2 3.46Å; F674-V678 VanDerWaalsContact CZ-CG2 3.46Å; F674-V678 WeakPolarHBondContact O-CG2 3.46Å; F674-V678 PolarHBondContact O-N 3.47Å; F674-V697 HydrophobicContact CD2-CG1 4Å; F674-V697 HydrophobicContact CE2-CG1 3.55Å; F674-F701 HydrophobicContact CB-CD1 4.18Å; F674-F701 HydrophobicContact CB-CE1 3.94Å; F674-F701 HydrophobicContact CB-CE2 4.33Å; F674-F701 HydrophobicContact CB-CG 4.48Å; F674-F701 HydrophobicContact CB-CZ 4.02Å; F674-F701 HydrophobicContact CD2-CB 4.13Å; F674-F701 HydrophobicContact CD2-CD1 4.28Å; F674-F701 AromaticContact CD2-CD2 3.78Å; F674-F701 HydrophobicContact CD2-CD2 3.78Å; F674-F701 HydrophobicContact CD2-CE2 4.24Å; F674-F701 AromaticContact CD2-CG 3.79Å; F674-F701 HydrophobicContact CD2-CG 3.79Å; F674-F702 AromaticContact CE2-CE2 3.94Å; F674-F702 HydrophobicContact CE2-CE2 3.94Å; F674-F702 HydrophobicContact CE2-CZ 4.4Å; F674-L712 HydrophobicContact CB-CD2 3.6Å; F674-L712 HydrophobicContact CD1-CD2 4.38Å; F674-L712 HydrophobicContact CD2-CD2 3.89Å; F674-L712 HydrophobicContact CG-CD2 3.68Å; F674-L733 HydrophobicContact CE2-CD2 4.46Å; F674-L733 HydrophobicContact CZ-CD2 4.18Å; F674-L736 HydrophobicContact CE1-CD2 4.08Å; F674-L736 HydrophobicContact CE1-CG 4.16Å; F674-L736 HydrophobicContact CE2-CD2 4.29Å; F674-L736 HydrophobicContact CZ-CD2 3.55Å; F674-L736 HydrophobicContact CZ-CG 4.09Å; F674-I740 HydrophobicContact CD1-CD1 3.33Å; F674-I740 HydrophobicContact CE1-CD1 3.36Å; F674-I740 HydrophobicContact CG-CD1 4.15Å; F674-I740 HydrophobicContact CZ-CD1 4.18Å
675L81.7Confident79.3Confident1 Ų158.2 Ų58.21%0.00529%0.292CS..Hα-helixtrans-59.6-40.1178.8-69.5-178.7000112.6L650 P671 L672 Q679 Q737 I740 M741 I744L650-L675 HydrophobicContact CD1-CD1 4.4Å; P671-L675 WeakPolarHBondContact O-CG 3.5Å; P671-L675 PolarHBondContact O-N 3.27Å; P671-L675 VanDerWaalsContact O-N 3.1Å; L672-L675 PolarHBondContact O-N 3.34Å; L675-Q679 WeakPolarHBondContact O-CB 3.33Å; L675-Q679 PolarHBondContact O-N 2.95Å; L675-Q737 HydrophobicContact CD2-CB 4.31Å; L675-Q737 HydrophobicContact CD2-CG 3.46Å; L675-Q737 VanDerWaalsContact CD2-CG 3.46Å; L675-I740 HydrophobicContact CD1-CG2 4.39Å; L675-I740 HydrophobicContact CD2-CB 4.12Å; L675-I740 HydrophobicContact CD2-CG2 3.93Å; L675-I740 HydrophobicContact CG-CG2 3.99Å; L675-M741 HydrophobicContact CD1-CB 4.37Å; L675-M741 HydrophobicContact CD2-CB 4.34Å; L675-I744 HydrophobicContact CD1-CD1 3.56Å; L675-I744 HydrophobicContact CG-CD1 4.39Å
676I81.2Confident79.2Confident27 Ų2754.9 Ų54.914%0.13828%0.281CS..Hα-helixtrans-67.7-38.9176.7-66.1167.8000110.8L656 L672 Q673 F674 Q679 K680L656-I676 HydrophobicContact CD1-CD1 4.2Å; L656-I676 HydrophobicContact CD1-CG1 4.44Å; L656-I676 HydrophobicContact CD2-CD1 4.05Å; L656-I676 HydrophobicContact CG-CD1 4.47Å; L672-I676 HydrophobicContact CD1-CD1 4.42Å; L672-I676 HydrophobicContact CG-CD1 4.1Å; L672-I676 WeakPolarHBondContact O-CG1 3.41Å; L672-I676 PolarHBondContact O-N 3.46Å; L672-I676 VanDerWaalsContact O-N 3.08Å; Q673-I676 PolarHBondContact O-N 3.08Å; F674-I676 VanDerWaalsContact C-N 3.3Å; F674-I676 PolarHBondContact O-N 3Å; I676-Q679 PolarHBondContact O-N 3.47Å; I676-K680 WeakPolarHBondContact O-CG 3.36Å; I676-K680 PolarHBondContact O-N 3.47Å
677A82Confident79Confident24 Ų2457.2 Ų57.220%0.19830%0.296CS..Hα-helixtrans-66.1-42.1177.100000112.1Q673 F674 K680 I681 V697Q673-A677 WeakPolarHBondContact O-CB 3.44Å; Q673-A677 PolarHBondContact O-N 3.23Å; F674-A677 PolarHBondContact O-N 3.45Å; F674-A677 VanDerWaalsContact O-N 3.11Å; A677-K680 WeakPolarHBondContact O-CB 3.38Å; A677-K680 PolarHBondContact O-N 3.18Å; A677-I681 WeakPolarHBondContact O-CG1 3.48Å; A677-I681 PolarHBondContact O-N 2.76Å; A677-V697 HydrophobicContact CB-CG2 3.76Å
678V81.9Confident78.9Confident2 Ų257 Ų571%0.01230%0.295CS..Hα-helixtrans-69.1-36.8176.5178.20000111.8F674 K680 I681 S682 L733 L734 Q737F674-V678 HydrophobicContact CD1-CG2 4.09Å; F674-V678 HydrophobicContact CD2-CG2 4.45Å; F674-V678 HydrophobicContact CE1-CG2 3.54Å; F674-V678 HydrophobicContact CE2-CG2 3.95Å; F674-V678 HydrophobicContact CZ-CG2 3.46Å; F674-V678 VanDerWaalsContact CZ-CG2 3.46Å; F674-V678 WeakPolarHBondContact O-CG2 3.46Å; F674-V678 PolarHBondContact O-N 3.47Å; V678-K680 VanDerWaalsContact C-N 3.29Å; V678-K680 PolarHBondContact O-N 3.45Å; V678-I681 WeakPolarHBondContact O-CB 3.16Å; V678-I681 PolarHBondContact O-N 3.17Å; V678-S682 PolarHBondContact O-N 3.45Å; V678-L733 HydrophobicContact CG1-CB 4.34Å; V678-L733 HydrophobicContact CG2-CB 4.46Å; V678-L734 HydrophobicContact CG1-CD2 4.21Å; V678-Q737 HydrophobicContact CB-CG 4.5Å; V678-Q737 HydrophobicContact CG1-CB 4.06Å; V678-Q737 HydrophobicContact CG1-CG 4.21Å
679Q77.6Confident78.6Confident58 Ų5860.5 Ų60.527%0.27131%0.313SS..Hα-helixtrans-64.8-33.6173.2-169.8176.1-3.300112.1L675 I676 S682 M683L675-Q679 WeakPolarHBondContact O-CB 3.33Å; L675-Q679 PolarHBondContact O-N 2.95Å; I676-Q679 PolarHBondContact O-N 3.47Å; Q679-S682 PolarHBondContact O-N 3.1Å; Q679-S682 PolarHBondContact O-OG 3.25Å; Q679-M683 HydrophobicContact CG-SD 4.37Å; Q679-M683 VanDerWaalsContact O-CG 3.3Å; Q679-M683 WeakPolarHBondContact O-CG 3.49Å; Q679-M683 PolarHBondContact O-N 3.43Å
680K79.2Confident78.3Confident137 Ų13759.7 Ų59.760%0.59631%0.311SS*.Hα-helixtrans-66.5-40171.3-74175.7179.5-173.50111.9I676 A677 V678 S682 M683 E684I676-K680 WeakPolarHBondContact O-CG 3.36Å; I676-K680 PolarHBondContact O-N 3.47Å; A677-K680 WeakPolarHBondContact O-CB 3.38Å; A677-K680 PolarHBondContact O-N 3.18Å; V678-K680 VanDerWaalsContact C-N 3.29Å; V678-K680 PolarHBondContact O-N 3.45Å; K680-S682 VanDerWaalsContact C-N 3.33Å; K680-S682 PolarHBondContact O-N 2.8Å; K680-M683 PolarHBondContact O-N 2.95Å; K680-E684 PolarHBondContact O-N 2.87Å
681I80.7Confident78.1Confident4 Ų463.3 Ų63.32%0.02132%0.322CS..Hα-helixtrans-62.8-39.2175.8-68.4165.7000111.2A677 V678 M683 E684 L693 I694 V697 T730 L733A677-I681 WeakPolarHBondContact O-CG1 3.48Å; A677-I681 PolarHBondContact O-N 2.76Å; V678-I681 WeakPolarHBondContact O-CB 3.16Å; V678-I681 PolarHBondContact O-N 3.17Å; I681-M683 VanDerWaalsContact C-N 3.32Å; I681-M683 PolarHBondContact O-N 3Å; I681-E684 PolarHBondContact O-N 2.91Å; I681-L693 HydrophobicContact CD1-CB 4.25Å; I681-L693 HydrophobicContact CG1-CB 3.69Å; I681-L693 HydrophobicContact CG1-CD1 4.37Å; I681-I694 HydrophobicContact CD1-CG1 4.01Å; I681-I694 HydrophobicContact CG2-CD1 4.29Å; I681-I694 HydrophobicContact CG2-CG1 3.98Å; I681-V697 HydrophobicContact CD1-CB 4.37Å; I681-V697 HydrophobicContact CD1-CG2 3.69Å; I681-T730 HydrophobicContact CG2-CG2 4.12Å; I681-L733 HydrophobicContact CD1-CD1 4.21Å
682S72.6Confident77.9Confident63 Ų6365.6 Ų65.644%0.44134%0.337SS..Hα-helixtrans-75.9-17.4-179.167.60000114.5V678 Q679 K680V678-S682 PolarHBondContact O-N 3.45Å; Q679-S682 PolarHBondContact O-N 3.1Å; Q679-S682 PolarHBondContact O-OG 3.25Å; K680-S682 VanDerWaalsContact C-N 3.33Å; K680-S682 PolarHBondContact O-N 2.8Å
683M74.4Confident77.7Confident143 Ų14367.9 Ų67.970%0.70435%0.35SS*.Hα-helixtrans-93.1-10.7175.5-67.5-179.168.400113.2Q679 K680 I681Q679-M683 HydrophobicContact CG-SD 4.37Å; Q679-M683 VanDerWaalsContact O-CG 3.3Å; Q679-M683 WeakPolarHBondContact O-CG 3.49Å; Q679-M683 PolarHBondContact O-N 3.43Å; K680-M683 PolarHBondContact O-N 2.95Å; I681-M683 VanDerWaalsContact C-N 3.32Å; I681-M683 PolarHBondContact O-N 3Å
684E77.8Confident77.5Confident74 Ų7465 Ų6535%0.34634%0.337SS..  trans-83.1127.5-177.3-170.759.5-117.100111.3K680 I681 I689 L693K680-E684 PolarHBondContact O-N 2.87Å; I681-E684 PolarHBondContact O-N 2.91Å; E684-I689 HydrophobicContact CG-CB 4.06Å; E684-I689 HydrophobicContact CG-CG2 3.87Å; E684-L693 HydrophobicContact CB-CD1 4.41Å; E684-L693 HydrophobicContact CG-CD1 4.29Å
685T71.4Confident77.2Confident143 Ų14370.3 Ų70.388%0.87736%0.361SS*.  trans-96-15.7-176.647.90000113.2
686S75.4Confident77.1Confident46 Ų4674.4 Ų74.432%0.32238%0.383SS..  trans-87.2120.3178.7176.40000112.4K688 I689 C690S686-K688 VanDerWaalsContact C-N 3.32Å; S686-K688 PolarHBondContact O-N 3.39Å; S686-I689 PolarHBondContact O-N 2.91Å; S686-C690 VanDerWaalsContact O-CB 3.3Å; S686-C690 WeakPolarHBondContact O-CB 3.34Å; S686-C690 PolarHBondContact O-N 3.23Å
687E73.2Confident77.1Confident133 Ų13373.5 Ų73.562%0.62138%0.379SS*.Hα-helixtrans-65-32.7-176.9-154.4-166.7143.100113.2K691E687-K691 WeakPolarHBondContact O-CG 3.47Å; E687-K691 PolarHBondContact O-N 3.12Å; E687-K691 VanDerWaalsContact O-N 3.08Å; E687-K691 IonicContact OE1-NZ 3.19Å; E687-K691 PolarHBondContact OE1-NZ 3.23Å
688K74.1Confident76.8Confident182 Ų18273.7 Ų73.779%0.79138%0.376SS*.Hα-helixtrans-70.6-40.6178.1-66.4-176.1-179179.60111.8S686 S692S686-K688 VanDerWaalsContact C-N 3.32Å; S686-K688 PolarHBondContact O-N 3.39Å; K688-S692 PolarHBondContact O-N 3.29Å
689I74.7Confident76.7Confident76 Ų7679.2 Ų79.239%0.3940%0.4SS..Hα-helixtrans-72.3-41.8178.4-60.8176000109.6E684 S686 K691 S692 L693E684-I689 HydrophobicContact CG-CB 4.06Å; E684-I689 HydrophobicContact CG-CG2 3.87Å; S686-I689 PolarHBondContact O-N 2.91Å; I689-K691 PolarHBondContact O-N 3.04Å; I689-S692 PolarHBondContact O-N 2.65Å; I689-S692 VanDerWaalsContact O-N 3.12Å; I689-S692 PolarHBondContact O-OG 3.08Å; I689-L693 HydrophobicContact CG2-CD1 3.92Å; I689-L693 HydrophobicContact CG2-CG 4.18Å; I689-L693 WeakPolarHBondContact O-CG 3.47Å; I689-L693 PolarHBondContact O-N 3.04Å
690C74.4Confident76.6Confident19 Ų1980.5 Ų80.513%0.12841%0.412CS..Hα-helixtrans-57.2-46175.6-172.10000112.1S686 S692 L693 I694S686-C690 VanDerWaalsContact O-CB 3.3Å; S686-C690 WeakPolarHBondContact O-CB 3.34Å; S686-C690 PolarHBondContact O-N 3.23Å; C690-S692 PolarHBondContact O-N 3.38Å; C690-L693 PolarHBondContact O-N 2.87Å; C690-I694 VanDerWaalsContact O-CG1 3.25Å; C690-I694 WeakPolarHBondContact O-CG1 3.35Å; C690-I694 PolarHBondContact O-N 3.24Å
691K76Confident76.4Confident118 Ų11874.5 Ų74.551%0.51339%0.386SS..Hα-helixtrans-57.6-45.4173.5-78.5169.5171.3159.10112.3E687 I689 L693 I694 E695E687-K691 WeakPolarHBondContact O-CG 3.47Å; E687-K691 PolarHBondContact O-N 3.12Å; E687-K691 VanDerWaalsContact O-N 3.08Å; E687-K691 IonicContact OE1-NZ 3.19Å; E687-K691 PolarHBondContact OE1-NZ 3.23Å; I689-K691 PolarHBondContact O-N 3.04Å; K691-L693 PolarHBondContact O-N 3.16Å; K691-I694 PolarHBondContact O-N 2.7Å; K691-E695 PolarHBondContact O-N 2.87Å
692S78.9Confident76.2Confident50 Ų5075 Ų7535%0.3539%0.388SS..Hα-helixtrans-66.4-36.2177.674.30000113.7K688 I689 C690 E695 N696K688-S692 PolarHBondContact O-N 3.29Å; I689-S692 PolarHBondContact O-N 2.65Å; I689-S692 VanDerWaalsContact O-N 3.12Å; I689-S692 PolarHBondContact O-OG 3.08Å; C690-S692 PolarHBondContact O-N 3.38Å; S692-E695 PolarHBondContact O-N 2.98Å; S692-N696 VanDerWaalsContact O-CG 3.25Å; S692-N696 PolarHBondContact O-N 3.13Å; S692-N696 PolarHBondContact O-ND2 3.1Å
693L78.6Confident76.1Confident50 Ų5078.2 Ų78.226%0.26240%0.396SS..Hα-helixtrans-70.1-38177.3-71.8172.7000111.6I681 E684 I689 C690 K691 N696 V697I681-L693 HydrophobicContact CD1-CB 4.25Å; I681-L693 HydrophobicContact CG1-CB 3.69Å; I681-L693 HydrophobicContact CG1-CD1 4.37Å; E684-L693 HydrophobicContact CB-CD1 4.41Å; E684-L693 HydrophobicContact CG-CD1 4.29Å; I689-L693 HydrophobicContact CG2-CD1 3.92Å; I689-L693 HydrophobicContact CG2-CG 4.18Å; I689-L693 WeakPolarHBondContact O-CG 3.47Å; I689-L693 PolarHBondContact O-N 3.04Å; C690-L693 PolarHBondContact O-N 2.87Å; K691-L693 PolarHBondContact O-N 3.16Å; L693-N696 PolarHBondContact O-N 2.91Å; L693-V697 WeakPolarHBondContact O-CG2 3.28Å; L693-V697 PolarHBondContact O-N 3.44Å
694I77.1Confident75.6Confident16 Ų1673.4 Ų73.48%0.08238%0.383CS..Hα-helixtrans-63.1-46.2173.7-69.7168.3000110.2I681 C690 K691 N696 V697 I698 L733I681-I694 HydrophobicContact CD1-CG1 4.01Å; I681-I694 HydrophobicContact CG2-CD1 4.29Å; I681-I694 HydrophobicContact CG2-CG1 3.98Å; C690-I694 VanDerWaalsContact O-CG1 3.25Å; C690-I694 WeakPolarHBondContact O-CG1 3.35Å; C690-I694 PolarHBondContact O-N 3.24Å; K691-I694 PolarHBondContact O-N 2.7Å; I694-N696 VanDerWaalsContact C-N 3.31Å; I694-N696 PolarHBondContact O-N 3.31Å; I694-V697 PolarHBondContact O-N 3.43Å; I694-I698 HydrophobicContact CG2-CD1 3.82Å; I694-I698 HydrophobicContact CG2-CG1 4.5Å; I694-I698 VanDerWaalsContact O-CG1 3.27Å; I694-I698 WeakPolarHBondContact O-CG1 3.47Å; I694-I698 PolarHBondContact O-N 3.38Å; I694-L733 HydrophobicContact CB-CD1 4.47Å; I694-L733 HydrophobicContact CG1-CD1 3.9Å; I694-L733 HydrophobicContact CG2-CD1 4.15Å
695E78.6Confident74.7Confident111 Ų11179.9 Ų79.952%0.51941%0.413SS..Hα-helixtrans-60.3-39.5175.2-75.9-178.9-167.500112.6K691 S692 I698 K699K691-E695 PolarHBondContact O-N 2.87Å; S692-E695 PolarHBondContact O-N 2.98Å; E695-I698 PolarHBondContact O-N 2.78Å; E695-K699 WeakPolarHBondContact O-CB 3.41Å; E695-K699 WeakPolarHBondContact O-CG 3.37Å; E695-K699 PolarHBondContact O-N 3.16Å
696N80Confident74.4Confident86 Ų8678.1 Ų78.146%0.4640%0.398SS..Hα-helixtrans-65.6-40.2175.7-73.8-22.7000112.3S692 L693 I694 K699 T700S692-N696 VanDerWaalsContact O-CG 3.25Å; S692-N696 PolarHBondContact O-N 3.13Å; S692-N696 PolarHBondContact O-ND2 3.1Å; L693-N696 PolarHBondContact O-N 2.91Å; I694-N696 VanDerWaalsContact C-N 3.31Å; I694-N696 PolarHBondContact O-N 3.31Å; N696-K699 PolarHBondContact O-N 3.35Å; N696-T700 VanDerWaalsContact O-CB 3.31Å; N696-T700 WeakPolarHBondContact O-CB 3.48Å; N696-T700 PolarHBondContact O-N 2.69Å; N696-T700 PolarHBondContact O-OG1 3.01Å
697V80.1Confident74.3Confident8 Ų878.1 Ų78.15%0.04840%0.398CS..Hα-helixtrans-64.2-41.4174.8167.50000111.1F674 A677 I681 L693 I694 T700 F701 L733F674-V697 HydrophobicContact CD2-CG1 4Å; F674-V697 HydrophobicContact CE2-CG1 3.55Å; A677-V697 HydrophobicContact CB-CG2 3.76Å; I681-V697 HydrophobicContact CD1-CB 4.37Å; I681-V697 HydrophobicContact CD1-CG2 3.69Å; L693-V697 WeakPolarHBondContact O-CG2 3.28Å; L693-V697 PolarHBondContact O-N 3.44Å; I694-V697 PolarHBondContact O-N 3.43Å; V697-T700 PolarHBondContact O-N 3.28Å; V697-F701 HydrophobicContact CG1-CD2 4.07Å; V697-F701 WeakPolarHBondContact O-CB 3.13Å; V697-F701 WeakPolarHBondContact O-CD2 3.47Å; V697-F701 PolarHBondContact O-N 3.47Å; V697-L733 HydrophobicContact CG1-CD2 4.45Å
698I77.1Confident74.2Confident29 Ų2972.4 Ų72.415%0.14937%0.372CS..Hα-helixtrans-64.1-47.8176.9-64.8164.1000110.7I694 E695 T700 F702 Q703 V728I694-I698 HydrophobicContact CG2-CD1 3.82Å; I694-I698 HydrophobicContact CG2-CG1 4.5Å; I694-I698 VanDerWaalsContact O-CG1 3.27Å; I694-I698 WeakPolarHBondContact O-CG1 3.47Å; I694-I698 PolarHBondContact O-N 3.38Å; E695-I698 PolarHBondContact O-N 2.78Å; I698-T700 VanDerWaalsContact C-N 3.33Å; I698-T700 PolarHBondContact O-N 3.04Å; I698-F702 HydrophobicContact CG2-CB 4.41Å; I698-F702 WeakPolarHBondContact O-CA 3.34Å; I698-F702 WeakPolarHBondContact O-CB 3.28Å; I698-F702 PolarHBondContact O-N 2.98Å; I698-Q703 HydrophobicContact CG2-CG 4.19Å; I698-Q703 PolarHBondContact O-N 3.3Å; I698-V728 HydrophobicContact CD1-CB 3.8Å; I698-V728 HydrophobicContact CD1-CG2 3.64Å; I698-V728 HydrophobicContact CG1-CB 4.48Å; I698-V728 HydrophobicContact CG1-CG2 4.15Å
699K78.4Confident74.2Confident117 Ų11765.6 Ų65.651%0.50934%0.343SS..Hα-helixtrans-59.6-42.5177.5-77.7173.9-179.8171.40112.5E695 N696E695-K699 WeakPolarHBondContact O-CB 3.41Å; E695-K699 WeakPolarHBondContact O-CG 3.37Å; E695-K699 PolarHBondContact O-N 3.16Å; N696-K699 PolarHBondContact O-N 3.35Å
700T76.9Confident74.1Confident85 Ų8568.5 Ų68.552%0.52136%0.355SS..Hα-helixtrans-77.7-39.9-174.9-50.20000112.4N696 V697 I698 M711N696-T700 VanDerWaalsContact O-CB 3.31Å; N696-T700 WeakPolarHBondContact O-CB 3.48Å; N696-T700 PolarHBondContact O-N 2.69Å; N696-T700 PolarHBondContact O-OG1 3.01Å; V697-T700 PolarHBondContact O-N 3.28Å; I698-T700 VanDerWaalsContact C-N 3.33Å; I698-T700 PolarHBondContact O-N 3.04Å; T700-M711 WeakPolarHBondContact O-CE 3.34Å
701F74.9Confident74.1Confident12 Ų1269 Ų695%0.05336%0.356CS..Hα-helixtrans-104.9-19.6-170.3-64.6-78.9000115.8S670 Q673 F674 V697 M711 L712S670-F701 WeakPolarHBondContact O-CE1 3.48Å; Q673-F701 HydrophobicContact CB-CE1 4.48Å; Q673-F701 HydrophobicContact CB-CZ 4.02Å; F674-F701 HydrophobicContact CB-CD1 4.18Å; F674-F701 HydrophobicContact CB-CE1 3.94Å; F674-F701 HydrophobicContact CB-CE2 4.33Å; F674-F701 HydrophobicContact CB-CG 4.48Å; F674-F701 HydrophobicContact CB-CZ 4.02Å; F674-F701 HydrophobicContact CD2-CB 4.13Å; F674-F701 HydrophobicContact CD2-CD1 4.28Å; F674-F701 AromaticContact CD2-CD2 3.78Å; F674-F701 HydrophobicContact CD2-CD2 3.78Å; F674-F701 HydrophobicContact CD2-CE2 4.24Å; F674-F701 AromaticContact CD2-CG 3.79Å; F674-F701 HydrophobicContact CD2-CG 3.79Å; V697-F701 HydrophobicContact CG1-CD2 4.07Å; V697-F701 WeakPolarHBondContact O-CB 3.13Å; V697-F701 WeakPolarHBondContact O-CD2 3.47Å; V697-F701 PolarHBondContact O-N 3.47Å; F701-M711 HydrophobicContact CB-CE 4.31Å; F701-M711 HydrophobicContact CD1-CE 4.15Å; F701-M711 WeakPolarHBondContact O-CE 3.45Å; F701-L712 HydrophobicContact CB-CD2 4.39Å; F701-L712 HydrophobicContact CD1-CD2 3.74Å; F701-L712 HydrophobicContact CE1-CD2 4.41Å; F701-L712 HydrophobicContact CG-CD2 4.3Å
702F75.9Confident74.1Confident15 Ų1563.5 Ų63.57%0.06633%0.332CS..THydrogen-bonded Turntrans-123.7-15-173-64.4-89.5000114.5F674 I698 P708 L712 I719 I722 L736F674-F702 AromaticContact CE2-CE2 3.94Å; F674-F702 HydrophobicContact CE2-CE2 3.94Å; F674-F702 HydrophobicContact CE2-CZ 4.4Å; I698-F702 HydrophobicContact CG2-CB 4.41Å; I698-F702 WeakPolarHBondContact O-CA 3.34Å; I698-F702 WeakPolarHBondContact O-CB 3.28Å; I698-F702 PolarHBondContact O-N 2.98Å; F702-P708 HydrophobicContact CD1-CB 3.81Å; F702-P708 HydrophobicContact CD1-CG 4.09Å; F702-P708 HydrophobicContact CE1-CB 4.15Å; F702-L712 HydrophobicContact CE1-CD1 4.15Å; F702-L712 HydrophobicContact CE2-CD1 4.35Å; F702-L712 HydrophobicContact CZ-CD1 3.74Å; F702-I719 HydrophobicContact CE1-CG2 4.29Å; F702-I722 HydrophobicContact CD1-CB 4.31Å; F702-I722 HydrophobicContact CD1-CG2 3.74Å; F702-I722 HydrophobicContact CD2-CG2 4.44Å; F702-I722 HydrophobicContact CE1-CB 4.06Å; F702-I722 HydrophobicContact CE1-CD1 4.39Å; F702-I722 HydrophobicContact CE1-CG2 3.7Å; F702-I722 HydrophobicContact CE2-CG2 4.4Å; F702-I722 HydrophobicContact CG-CG2 4.12Å; F702-I722 HydrophobicContact CZ-CD1 4.39Å; F702-I722 HydrophobicContact CZ-CG2 4.04Å; F702-L736 HydrophobicContact CE1-CD2 4.37Å; F702-L736 HydrophobicContact CE2-CD2 4.41Å; F702-L736 HydrophobicContact CZ-CD2 3.54Å
703Q69.5Low74Confident130 Ų13063.4 Ų63.461%0.60733%0.326SS*.SBendtrans-116.116.7-178.2-59.6178.4-14.500113.3I698I698-Q703 HydrophobicContact CG2-CG 4.19Å; I698-Q703 PolarHBondContact O-N 3.3Å
704G63.9Low73.9Confident41 Ų4161.4 Ų61.442%0.42332%0.316SS..SBendtrans-82.1175.817900000114.3L706G704-L706 VanDerWaalsContact C-N 3.27Å; G704-L706 PolarHBondContact O-N 3.07Å
705Q58.5Low73.5Confident211 Ų21167.1 Ų67.199%0.98635%0.347SS*.SBendtrans-69-20.4176.9-78.1-170.6-11.500114.2
706L66.8Low73.4Confident106 Ų10662.2 Ų62.256%0.55533%0.325SS*.SBendtrans-98.7148.9178.2-66.8170.1000109.9G704 M711G704-L706 VanDerWaalsContact C-N 3.27Å; G704-L706 PolarHBondContact O-N 3.07Å; L706-M711 HydrophobicContact CB-SD 4.38Å
707S73.1Confident72.9Confident45 Ų4562.6 Ų62.632%0.31533%0.332SS..  trans-63.5141.7178.862.90000110.8E709 E710 M711S707-E709 PolarHBondContact O-N 3.13Å; S707-E710 PolarHBondContact O-N 3.28Å; S707-E710 VanDerWaalsContact O-N 3.13Å; S707-E710 WeakPolarHBondContact OG-CB 3.16Å; S707-E710 WeakPolarHBondContact OG-CG 3.34Å; S707-E710 PolarHBondContact OG-N 3.1Å; S707-M711 PolarHBondContact O-N 2.87Å
708P70.9Confident72.5Confident13 Ų1363.2 Ų63.28%0.08434%0.335CS..Hα-helixtrans-57-30.9179.7-25.134.4000113.2F702 L712 I719 T723F702-P708 HydrophobicContact CD1-CB 3.81Å; F702-P708 HydrophobicContact CD1-CG 4.09Å; F702-P708 HydrophobicContact CE1-CB 4.15Å; P708-L712 VanDerWaalsContact O-CB 3.3Å; P708-L712 WeakPolarHBondContact O-CB 3.47Å; P708-L712 WeakPolarHBondContact O-CG 3.37Å; P708-L712 PolarHBondContact O-N 3.21Å; P708-I719 HydrophobicContact CB-CG2 3.68Å; P708-T723 HydrophobicContact CG-CG2 4.34Å
709E73.8Confident72.2Confident40 Ų4061.9 Ų61.919%0.18733%0.328CS..Hα-helixtrans-67.8-44.2176.5-62.285.5171.300112.4S707 Q713 C714 I719 K720S707-E709 PolarHBondContact O-N 3.13Å; E709-Q713 VanDerWaalsContact O-CA 3.24Å; E709-Q713 WeakPolarHBondContact O-CA 3.49Å; E709-Q713 PolarHBondContact O-N 2.7Å; E709-C714 PolarHBondContact O-N 2.89Å; E709-I719 HydrophobicContact CG-CG2 4.03Å; E709-K720 VanDerWaalsContact OE1-CG 3.28Å; E709-K720 WeakPolarHBondContact OE1-CG 3.23Å
710E71.9Confident71.6Confident136 Ų13663 Ų6364%0.63633%0.333SS*.Hα-helixtrans-70.4-36.4177.1-73.9178178.100111.4S707 Q713S707-E710 PolarHBondContact O-N 3.28Å; S707-E710 VanDerWaalsContact O-N 3.13Å; S707-E710 WeakPolarHBondContact OG-CB 3.16Å; S707-E710 WeakPolarHBondContact OG-CG 3.34Å; S707-E710 PolarHBondContact OG-N 3.1Å; E710-Q713 WeakPolarHBondContact O-CG 3.35Å
711M75.8Confident71.1Confident31 Ų3164.9 Ų64.915%0.15334%0.336CS..Hα-helixtrans-75.9-35.1-177.7-157.8153.876.700113S670 T700 F701 L706 S707S670-M711 WeakPolarHBondContact CB-O 3.43Å; T700-M711 WeakPolarHBondContact O-CE 3.34Å; F701-M711 HydrophobicContact CB-CE 4.31Å; F701-M711 HydrophobicContact CD1-CE 4.15Å; F701-M711 WeakPolarHBondContact O-CE 3.45Å; L706-M711 HydrophobicContact CB-SD 4.38Å; S707-M711 PolarHBondContact O-N 2.87Å
712L76.1Confident70.7Confident1 Ų164.7 Ų64.71%0.00534%0.335CS..Hα-helixtrans-93.8-3.2175.9-61.3173000112.9P671 F674 F701 F702 P708 C714 I740P671-L712 WeakPolarHBondContact CG-O 3.5Å; F674-L712 HydrophobicContact CB-CD2 3.6Å; F674-L712 HydrophobicContact CD1-CD2 4.38Å; F674-L712 HydrophobicContact CD2-CD2 3.89Å; F674-L712 HydrophobicContact CG-CD2 3.68Å; F701-L712 HydrophobicContact CB-CD2 4.39Å; F701-L712 HydrophobicContact CD1-CD2 3.74Å; F701-L712 HydrophobicContact CE1-CD2 4.41Å; F701-L712 HydrophobicContact CG-CD2 4.3Å; F702-L712 HydrophobicContact CE1-CD1 4.15Å; F702-L712 HydrophobicContact CE2-CD1 4.35Å; F702-L712 HydrophobicContact CZ-CD1 3.74Å; P708-L712 VanDerWaalsContact O-CB 3.3Å; P708-L712 WeakPolarHBondContact O-CB 3.47Å; P708-L712 WeakPolarHBondContact O-CG 3.37Å; P708-L712 PolarHBondContact O-N 3.21Å; L712-C714 HydrophobicContact CB-CB 4.5Å; L712-C714 PolarHBondContact O-N 3.17Å; L712-C714 VanDerWaalsContact O-N 3.08Å; L712-I740 HydrophobicContact CB-CD1 4.25Å; L712-I740 HydrophobicContact CD1-CD1 4.02Å; L712-I740 HydrophobicContact CD2-CD1 4.22Å; L712-I740 HydrophobicContact CG-CD1 4.39Å
713Q75Confident70Confident49 Ų4967.5 Ų67.523%0.22935%0.354CS..THydrogen-bonded Turntrans48.332.5-178.4-61.4-173.2-5.100113.3K667 P671 E709 E710 S743 K747K667-Q713 PolarHBondContact O-NE2 3.03Å; P671-Q713 HydrophobicContact CG-CB 4.13Å; P671-Q713 HydrophobicContact CG-CG 4.24Å; E709-Q713 VanDerWaalsContact O-CA 3.24Å; E709-Q713 WeakPolarHBondContact O-CA 3.49Å; E709-Q713 PolarHBondContact O-N 2.7Å; E710-Q713 WeakPolarHBondContact O-CG 3.35Å; Q713-S743 PolarHBondContact O-OG 3.46Å; Q713-K747 PolarHBondContact O-NZ 2.99Å
714C76.9Confident69.5Low7 Ų765.9 Ų65.95%0.04736%0.355CS..  trans-132.1123.7-173.1-173.60000108.8E709 L712 A716 I719 I740E709-C714 PolarHBondContact O-N 2.89Å; L712-C714 HydrophobicContact CB-CB 4.5Å; L712-C714 PolarHBondContact O-N 3.17Å; L712-C714 VanDerWaalsContact O-N 3.08Å; C714-A716 VanDerWaalsContact C-N 3.3Å; C714-A716 PolarHBondContact O-N 3.09Å; C714-I719 HydrophobicContact CB-CD1 3.75Å; C714-I719 WeakPolarHBondContact O-CD1 3.48Å; C714-I740 HydrophobicContact CB-CG1 4.06Å
715D69.8Low69.4Low137 Ų13767.5 Ų67.573%0.73336%0.356SS*.  trans-96.939.3-178.7-56.1-55000111.2
716A75.9Confident69.2Low8 Ų869 Ų697%0.06635%0.353CS..  trans-78.5136.3-179.200000110.8C714 I718 I719 Y739C714-A716 VanDerWaalsContact C-N 3.3Å; C714-A716 PolarHBondContact O-N 3.09Å; A716-I718 HydrophobicContact CB-CG2 4.1Å; A716-I718 PolarHBondContact O-N 3.48Å; A716-I718 VanDerWaalsContact O-N 3.13Å; A716-I719 HydrophobicContact CB-CD1 4.14Å; A716-I719 HydrophobicContact CB-CG1 4.4Å; A716-I719 WeakPolarHBondContact O-CB 3.48Å; A716-I719 PolarHBondContact O-N 3.48Å; A716-Y739 HydrophobicContact CB-CD1 4.48Å; A716-Y739 HydrophobicContact CB-CG 4.2Å
717P70.3Confident68.8Low93 Ų9371.9 Ų71.960%0.60436%0.363SS*.Hα-helixtrans-59.9-29.9-177.523.6-33.3000112.7I719 K720P717-I719 PolarHBondContact O-N 2.82Å; P717-K720 PolarHBondContact O-N 3.02Å; P717-K720 VanDerWaalsContact O-N 3.14Å
718I70.9Confident68.5Low22 Ų2270.5 Ų70.511%0.11335%0.353CS..Hα-helixtrans-63-23.3177.6-157.4170.6000113.1A716 K720 E721 I722 T732 I735 L736 Y739A716-I718 HydrophobicContact CB-CG2 4.1Å; A716-I718 PolarHBondContact O-N 3.48Å; A716-I718 VanDerWaalsContact O-N 3.13Å; I718-K720 VanDerWaalsContact C-N 3.32Å; I718-K720 PolarHBondContact O-N 3.43Å; I718-E721 PolarHBondContact O-N 2.82Å; I718-I722 HydrophobicContact CG1-CD1 4.35Å; I718-I722 WeakPolarHBondContact O-CD1 3.37Å; I718-I722 VanDerWaalsContact O-CG1 3.23Å; I718-I722 WeakPolarHBondContact O-CG1 3.39Å; I718-I722 PolarHBondContact O-N 3.26Å; I718-T732 HydrophobicContact CD1-CG2 4.19Å; I718-T732 HydrophobicContact CG1-CG2 4.45Å; I718-I735 HydrophobicContact CD1-CB 4.22Å; I718-I735 HydrophobicContact CD1-CG2 3.59Å; I718-L736 HydrophobicContact CG2-CD1 3.73Å; I718-Y739 HydrophobicContact CG2-CD2 4.22Å
719I71Confident68.6Low0 Ų073.5 Ų73.50%037%0.371CS..Hα-helixtrans-67-37.1177.1-68.7167.5000110.5F702 P708 E709 C714 A716 P717 E721 I722 T723 L736F702-I719 HydrophobicContact CE1-CG2 4.29Å; P708-I719 HydrophobicContact CB-CG2 3.68Å; E709-I719 HydrophobicContact CG-CG2 4.03Å; C714-I719 HydrophobicContact CB-CD1 3.75Å; C714-I719 WeakPolarHBondContact O-CD1 3.48Å; A716-I719 HydrophobicContact CB-CD1 4.14Å; A716-I719 HydrophobicContact CB-CG1 4.4Å; A716-I719 WeakPolarHBondContact O-CB 3.48Å; A716-I719 PolarHBondContact O-N 3.48Å; P717-I719 PolarHBondContact O-N 2.82Å; I719-E721 VanDerWaalsContact C-N 3.31Å; I719-E721 PolarHBondContact O-N 2.87Å; I719-I722 PolarHBondContact O-N 2.95Å; I719-T723 PolarHBondContact O-OG1 3.12Å; I719-T723 VanDerWaalsContact O-OG1 3.08Å; I719-L736 HydrophobicContact CD1-CD1 3.96Å; I719-L736 HydrophobicContact CG1-CD1 3.48Å; I719-L736 VanDerWaalsContact CG1-CD1 3.48Å
720K66.6Low68.4Low142 Ų14274 Ų7462%0.61738%0.377SS*.Hα-helixtrans-72.1-24.7176.4-64.6179.4179.7-179.10112.9E709 P717 I718 P724E709-K720 VanDerWaalsContact OE1-CG 3.28Å; E709-K720 WeakPolarHBondContact OE1-CG 3.23Å; P717-K720 PolarHBondContact O-N 3.02Å; P717-K720 VanDerWaalsContact O-N 3.14Å; I718-K720 VanDerWaalsContact C-N 3.32Å; I718-K720 PolarHBondContact O-N 3.43Å; K720-P724 WeakPolarHBondContact O-CD 2.92Å
721E65.2Low68.6Low124 Ų12472 Ų7258%0.57937%0.374SS*.Hα-helixtrans-80.7-24.6176.9-65.8177.1178.600112.7I718 I719 P724 T725I718-E721 PolarHBondContact O-N 2.82Å; I719-E721 VanDerWaalsContact C-N 3.31Å; I719-E721 PolarHBondContact O-N 2.87Å; E721-P724 WeakPolarHBondContact O-CD 3.3Å; E721-T725 WeakPolarHBondContact O-CG2 3.26Å; E721-T725 PolarHBondContact O-OG1 2.99Å
722I67.1Low68.6Low7 Ų772.4 Ų72.44%0.03638%0.379CS..Hα-helixtrans-79.7-30.9-179.8-68162.6000111.9F702 I718 I719 T725 V728 T732 L736F702-I722 HydrophobicContact CD1-CB 4.31Å; F702-I722 HydrophobicContact CD1-CG2 3.74Å; F702-I722 HydrophobicContact CD2-CG2 4.44Å; F702-I722 HydrophobicContact CE1-CB 4.06Å; F702-I722 HydrophobicContact CE1-CD1 4.39Å; F702-I722 HydrophobicContact CE1-CG2 3.7Å; F702-I722 HydrophobicContact CE2-CG2 4.4Å; F702-I722 HydrophobicContact CG-CG2 4.12Å; F702-I722 HydrophobicContact CZ-CD1 4.39Å; F702-I722 HydrophobicContact CZ-CG2 4.04Å; I718-I722 HydrophobicContact CG1-CD1 4.35Å; I718-I722 WeakPolarHBondContact O-CD1 3.37Å; I718-I722 VanDerWaalsContact O-CG1 3.23Å; I718-I722 WeakPolarHBondContact O-CG1 3.39Å; I718-I722 PolarHBondContact O-N 3.26Å; I719-I722 PolarHBondContact O-N 2.95Å; I722-T725 WeakPolarHBondContact CA-OG1 3.24Å; I722-T725 PolarHBondContact O-N 3.36Å; I722-T725 PolarHBondContact O-OG1 3Å; I722-V728 HydrophobicContact CG2-CG2 3.96Å; I722-T732 HydrophobicContact CD1-CG2 4.02Å; I722-T732 HydrophobicContact CG1-CG2 3.96Å; I722-L736 HydrophobicContact CD1-CB 4.47Å; I722-L736 HydrophobicContact CD1-CD2 3.73Å
723T61.9Low68.7Low75 Ų7572.4 Ų72.446%0.4638%0.379SS..THydrogen-bonded Turntrans-60.3-40.8179.5-17.30000114.5P708 I719P708-T723 HydrophobicContact CG-CG2 4.34Å; I719-T723 PolarHBondContact O-OG1 3.12Å; I719-T723 VanDerWaalsContact O-OG1 3.08Å
724P59Low68.8Low95 Ų9573.6 Ų73.662%0.61739%0.386SS*.THydrogen-bonded Turntrans-88.9-12178.131.4-34.8000115.2K720 E721K720-P724 WeakPolarHBondContact O-CD 2.92Å; E721-P724 WeakPolarHBondContact O-CD 3.3Å
725T60.3Low68.9Low75 Ų7577.2 Ų77.246%0.4640%0.404SS..  trans-86.2120.5-171.238.30000112.5E721 I722 H727E721-T725 WeakPolarHBondContact O-CG2 3.26Å; E721-T725 PolarHBondContact O-OG1 2.99Å; I722-T725 WeakPolarHBondContact CA-OG1 3.24Å; I722-T725 PolarHBondContact O-N 3.36Å; I722-T725 PolarHBondContact O-OG1 3Å; T725-H727 VanDerWaalsContact C-N 3.28Å; T725-H727 PolarHBondContact O-N 3.34Å
726R54.7Low69.3Low242 Ų24270.7 Ų70.791%0.91337%0.369SS*.SBendtrans-71.5-15.2-178.8-70-175.3178.7179.4-0.3114.7
727H59Low69.6Low167 Ų16772 Ų7277%0.77337%0.374SS*.  trans-133.497.5-178.6-68.273.3000109.6T725T725-H727 VanDerWaalsContact C-N 3.28Å; T725-H727 PolarHBondContact O-N 3.34Å
728V67.4Low70Confident17 Ų1769.6 Ų69.610%0.10337%0.366CS..  trans-88.4124174.8-175.60000108.6I698 I722 L733I698-V728 HydrophobicContact CD1-CB 3.8Å; I698-V728 HydrophobicContact CD1-CG2 3.64Å; I698-V728 HydrophobicContact CG1-CB 4.48Å; I698-V728 HydrophobicContact CG1-CG2 4.15Å; I722-V728 HydrophobicContact CG2-CG2 3.96Å; V728-L733 HydrophobicContact CG1-CD2 3.98Å; V728-L733 HydrophobicContact CG1-CG 3.89Å
729T71.4Confident70.5Confident76 Ų7674.3 Ų74.347%0.46638%0.383SS..  trans-88.4154.2177.567.40000111.5T731 T732 L733T729-T731 PolarHBondContact O-N 3.39Å; T729-T732 WeakPolarHBondContact O-CB 3.48Å; T729-T732 PolarHBondContact O-N 3.03Å; T729-T732 PolarHBondContact OG1-N 3.07Å; T729-T732 PolarHBondContact OG1-OG1 3.02Å; T729-L733 PolarHBondContact O-N 3.36Å
730T70.9Confident71.1Confident51 Ų5174.3 Ų74.331%0.31338%0.383SS..Hα-helixtrans-54.1-35.2174.9-46.50000111.9I681 L733 L734I681-T730 HydrophobicContact CG2-CG2 4.12Å; T730-L733 PolarHBondContact O-N 3.15Å; T730-L734 WeakPolarHBondContact O-CG 3.47Å; T730-L734 PolarHBondContact O-N 3.17Å
731T74.4Confident71.8Confident93 Ų9369.4 Ų69.457%0.57136%0.363SS*.Hα-helixtrans-63.9-41.4177.1-44.10000112.1T729 L733 L734 I735T729-T731 PolarHBondContact O-N 3.39Å; T731-L733 VanDerWaalsContact C-N 3.32Å; T731-L733 PolarHBondContact O-N 2.77Å; T731-L734 PolarHBondContact O-N 2.88Å; T731-I735 HydrophobicContact CG2-CD1 4.37Å; T731-I735 WeakPolarHBondContact O-CG1 3.32Å; T731-I735 PolarHBondContact O-N 3.42Å
732T76.6Confident72.6Confident40 Ų4069.2 Ų69.225%0.24536%0.361CS..Hα-helixtrans-63.1-39.6176-47.20000111.3I718 I722 T729 I735 L736I718-T732 HydrophobicContact CD1-CG2 4.19Å; I718-T732 HydrophobicContact CG1-CG2 4.45Å; I722-T732 HydrophobicContact CD1-CG2 4.02Å; I722-T732 HydrophobicContact CG1-CG2 3.96Å; T729-T732 WeakPolarHBondContact O-CB 3.48Å; T729-T732 PolarHBondContact O-N 3.03Å; T729-T732 PolarHBondContact OG1-N 3.07Å; T729-T732 PolarHBondContact OG1-OG1 3.02Å; T732-I735 PolarHBondContact O-N 3.24Å; T732-L736 WeakPolarHBondContact O-CB 3.23Å; T732-L736 PolarHBondContact O-N 3.38Å
733L77.8Confident73.4Confident1 Ų169.8 Ų69.81%0.00537%0.365CS..Hα-helixtrans-68.4-36.3176.4-68.4177.3000113F674 V678 I681 I694 V697 V728 T729 T730 T731 L736 Q737F674-L733 HydrophobicContact CE2-CD2 4.46Å; F674-L733 HydrophobicContact CZ-CD2 4.18Å; V678-L733 HydrophobicContact CG1-CB 4.34Å; V678-L733 HydrophobicContact CG2-CB 4.46Å; I681-L733 HydrophobicContact CD1-CD1 4.21Å; I694-L733 HydrophobicContact CB-CD1 4.47Å; I694-L733 HydrophobicContact CG1-CD1 3.9Å; I694-L733 HydrophobicContact CG2-CD1 4.15Å; V697-L733 HydrophobicContact CG1-CD2 4.45Å; V728-L733 HydrophobicContact CG1-CD2 3.98Å; V728-L733 HydrophobicContact CG1-CG 3.89Å; T729-L733 PolarHBondContact O-N 3.36Å; T730-L733 PolarHBondContact O-N 3.15Å; T731-L733 VanDerWaalsContact C-N 3.32Å; T731-L733 PolarHBondContact O-N 2.77Å; L733-L736 PolarHBondContact O-N 2.97Å; L733-Q737 WeakPolarHBondContact O-CB 3.4Å; L733-Q737 PolarHBondContact O-N 3.15Å
734L77.4Confident74.4Confident74 Ų7466.5 Ų66.539%0.38735%0.345SS..Hα-helixtrans-68.9-37.6175.6-70.9173.9000112.2V678 T730 T731 L736 Q737 G738V678-L734 HydrophobicContact CG1-CD2 4.21Å; T730-L734 WeakPolarHBondContact O-CG 3.47Å; T730-L734 PolarHBondContact O-N 3.17Å; T731-L734 PolarHBondContact O-N 2.88Å; L734-L736 VanDerWaalsContact C-N 3.35Å; L734-Q737 WeakPolarHBondContact O-CB 3.42Å; L734-Q737 PolarHBondContact O-N 3.29Å; L734-G738 PolarHBondContact O-N 2.97Å
735I79Confident75.5Confident83 Ų8365.9 Ų65.943%0.42633%0.333SS..Hα-helixtrans-62.8-46.5172.9-68.2167.1000109.5I718 T731 T732 Q737 G738 Y739I718-I735 HydrophobicContact CD1-CB 4.22Å; I718-I735 HydrophobicContact CD1-CG2 3.59Å; T731-I735 HydrophobicContact CG2-CD1 4.37Å; T731-I735 WeakPolarHBondContact O-CG1 3.32Å; T731-I735 PolarHBondContact O-N 3.42Å; T732-I735 PolarHBondContact O-N 3.24Å; I735-Q737 VanDerWaalsContact C-N 3.32Å; I735-Q737 PolarHBondContact O-N 3.06Å; I735-G738 PolarHBondContact O-N 2.97Å; I735-G738 VanDerWaalsContact O-N 3.17Å; I735-Y739 HydrophobicContact CG2-CD2 4.02Å; I735-Y739 HydrophobicContact CG2-CE2 3.57Å; I735-Y739 WeakPolarHBondContact O-CD2 3.38Å; I735-Y739 PolarHBondContact O-N 3.3Å
736L79.3Confident76.5Confident0 Ų068.5 Ų68.50%034%0.341CS..Hα-helixtrans-63.6-36.5176.7-179.864.3000112.6F674 F702 I718 I719 I722 T732 L733 L734 G738 Y739 I740F674-L736 HydrophobicContact CE1-CD2 4.08Å; F674-L736 HydrophobicContact CE1-CG 4.16Å; F674-L736 HydrophobicContact CE2-CD2 4.29Å; F674-L736 HydrophobicContact CZ-CD2 3.55Å; F674-L736 HydrophobicContact CZ-CG 4.09Å; F702-L736 HydrophobicContact CE1-CD2 4.37Å; F702-L736 HydrophobicContact CE2-CD2 4.41Å; F702-L736 HydrophobicContact CZ-CD2 3.54Å; I718-L736 HydrophobicContact CG2-CD1 3.73Å; I719-L736 HydrophobicContact CD1-CD1 3.96Å; I719-L736 HydrophobicContact CG1-CD1 3.48Å; I719-L736 VanDerWaalsContact CG1-CD1 3.48Å; I722-L736 HydrophobicContact CD1-CB 4.47Å; I722-L736 HydrophobicContact CD1-CD2 3.73Å; T732-L736 WeakPolarHBondContact O-CB 3.23Å; T732-L736 PolarHBondContact O-N 3.38Å; L733-L736 PolarHBondContact O-N 2.97Å; L734-L736 VanDerWaalsContact C-N 3.35Å; L736-G738 VanDerWaalsContact C-N 3.27Å; L736-G738 PolarHBondContact O-N 2.97Å; L736-Y739 PolarHBondContact O-N 3.04Å; L736-I740 HydrophobicContact CD1-CD1 3.89Å; L736-I740 HydrophobicContact CD1-CG1 4.17Å; L736-I740 HydrophobicContact CD2-CD1 4.17Å; L736-I740 HydrophobicContact CG-CD1 3.7Å; L736-I740 HydrophobicContact CG-CG1 4.37Å; L736-I740 WeakPolarHBondContact O-CG1 3.47Å; L736-I740 PolarHBondContact O-N 3.4Å
737Q81.8Confident77.8Confident35 Ų3561.4 Ų61.416%0.16432%0.316CS..Hα-helixtrans-56.4-42.4173.2-169.8-171.67.200111.3L675 V678 L733 L734 I735 I740 M741L675-Q737 HydrophobicContact CD2-CB 4.31Å; L675-Q737 HydrophobicContact CD2-CG 3.46Å; L675-Q737 VanDerWaalsContact CD2-CG 3.46Å; V678-Q737 HydrophobicContact CB-CG 4.5Å; V678-Q737 HydrophobicContact CG1-CB 4.06Å; V678-Q737 HydrophobicContact CG1-CG 4.21Å; L733-Q737 WeakPolarHBondContact O-CB 3.4Å; L733-Q737 PolarHBondContact O-N 3.15Å; L734-Q737 WeakPolarHBondContact O-CB 3.42Å; L734-Q737 PolarHBondContact O-N 3.29Å; I735-Q737 VanDerWaalsContact C-N 3.32Å; I735-Q737 PolarHBondContact O-N 3.06Å; Q737-I740 PolarHBondContact O-N 3.07Å; Q737-M741 WeakPolarHBondContact O-CB 2.93Å; Q737-M741 PolarHBondContact O-N 2.89Å
738G78.8Confident79Confident43 Ų4356 Ų5644%0.44329%0.289SS..Hα-helixtrans-61.7-43.7176.100000113L734 I735 L736 K742L734-G738 PolarHBondContact O-N 2.97Å; I735-G738 PolarHBondContact O-N 2.97Å; I735-G738 VanDerWaalsContact O-N 3.17Å; L736-G738 VanDerWaalsContact C-N 3.27Å; L736-G738 PolarHBondContact O-N 2.97Å; G738-K742 WeakPolarHBondContact O-CB 3.26Å; G738-K742 PolarHBondContact O-N 3.06Å
739Y81.1Confident79.7Confident120 Ų12055.4 Ų55.447%0.47129%0.285SS..Hα-helixtrans-66.1-42.1177.5-73-68.7000112.6A716 I718 I735 L736 K742 S743A716-Y739 HydrophobicContact CB-CD1 4.48Å; A716-Y739 HydrophobicContact CB-CG 4.2Å; I718-Y739 HydrophobicContact CG2-CD2 4.22Å; I735-Y739 HydrophobicContact CG2-CD2 4.02Å; I735-Y739 HydrophobicContact CG2-CE2 3.57Å; I735-Y739 WeakPolarHBondContact O-CD2 3.38Å; I735-Y739 PolarHBondContact O-N 3.3Å; L736-Y739 PolarHBondContact O-N 3.04Å; Y739-K742 PolarHBondContact O-N 3.42Å; Y739-S743 WeakPolarHBondContact O-CB 3.48Å; Y739-S743 PolarHBondContact O-N 2.62Å
740I83.1Confident80.2Confident0 Ų058 Ų580%029%0.29CS..Hα-helixtrans-70.7-39.1178.7-67.2167.5000111P671 F674 L675 L712 C714 L736 Q737 K742 S743 I744P671-I740 HydrophobicContact CB-CG2 4.01Å; F674-I740 HydrophobicContact CD1-CD1 3.33Å; F674-I740 HydrophobicContact CE1-CD1 3.36Å; F674-I740 HydrophobicContact CG-CD1 4.15Å; F674-I740 HydrophobicContact CZ-CD1 4.18Å; L675-I740 HydrophobicContact CD1-CG2 4.39Å; L675-I740 HydrophobicContact CD2-CB 4.12Å; L675-I740 HydrophobicContact CD2-CG2 3.93Å; L675-I740 HydrophobicContact CG-CG2 3.99Å; L712-I740 HydrophobicContact CB-CD1 4.25Å; L712-I740 HydrophobicContact CD1-CD1 4.02Å; L712-I740 HydrophobicContact CD2-CD1 4.22Å; L712-I740 HydrophobicContact CG-CD1 4.39Å; C714-I740 HydrophobicContact CB-CG1 4.06Å; L736-I740 HydrophobicContact CD1-CD1 3.89Å; L736-I740 HydrophobicContact CD1-CG1 4.17Å; L736-I740 HydrophobicContact CD2-CD1 4.17Å; L736-I740 HydrophobicContact CG-CD1 3.7Å; L736-I740 HydrophobicContact CG-CG1 4.37Å; L736-I740 WeakPolarHBondContact O-CG1 3.47Å; L736-I740 PolarHBondContact O-N 3.4Å; Q737-I740 PolarHBondContact O-N 3.07Å; I740-K742 VanDerWaalsContact C-N 3.33Å; I740-K742 PolarHBondContact O-N 3.12Å; I740-S743 WeakPolarHBondContact O-CB 3.18Å; I740-S743 PolarHBondContact O-N 3.3Å; I740-S743 VanDerWaalsContact O-N 3.16Å; I740-I744 HydrophobicContact CG2-CD1 4.2Å; I740-I744 HydrophobicContact CG2-CG1 4.5Å; I740-I744 WeakPolarHBondContact O-CG1 3.44Å; I740-I744 PolarHBondContact O-N 2.97Å
741M80.8Confident80.7Confident40 Ų4059 Ų5920%0.19729%0.293CS..Hα-helixtrans-61.4-42.8175.9-171.1168.3-178.700111.4L646 T647 L650 L675 Q737 I744 E745L646-M741 HydrophobicContact CB-CE 4.35Å; L646-M741 HydrophobicContact CD2-CE 4.49Å; L646-M741 HydrophobicContact CD2-CG 3.82Å; L646-M741 WeakPolarHBondContact CD2-O 3.41Å; L646-M741 HydrophobicContact CG-CE 4.38Å; T647-M741 HydrophobicContact CG2-CE 4.43Å; T647-M741 WeakPolarHBondContact OG1-CE 3.28Å; L650-M741 HydrophobicContact CD1-CE 3.89Å; L650-M741 HydrophobicContact CD1-SD 4.32Å; L675-M741 HydrophobicContact CD1-CB 4.37Å; L675-M741 HydrophobicContact CD2-CB 4.34Å; Q737-M741 WeakPolarHBondContact O-CB 2.93Å; Q737-M741 PolarHBondContact O-N 2.89Å; M741-I744 PolarHBondContact O-N 3.49Å; M741-E745 WeakPolarHBondContact O-CB 3.34Å; M741-E745 PolarHBondContact O-N 3.12Å
742K82.4Confident81.1Confident120 Ų12054.6 Ų54.652%0.52227%0.266SS..Hα-helixtrans-63.8-41.1173.2-172.8174.9175.1-178.80112.1G738 Y739 I740 I744 E745 E746G738-K742 WeakPolarHBondContact O-CB 3.26Å; G738-K742 PolarHBondContact O-N 3.06Å; Y739-K742 PolarHBondContact O-N 3.42Å; I740-K742 VanDerWaalsContact C-N 3.33Å; I740-K742 PolarHBondContact O-N 3.12Å; K742-I744 PolarHBondContact O-N 3.02Å; K742-E745 PolarHBondContact O-N 2.98Å; K742-E746 WeakPolarHBondContact CE-OE1 3.48Å; K742-E746 HydrophobicContact CG-CG 4.49Å; K742-E746 IonicContact NZ-OE1 2.75Å; K742-E746 WeakPolarHBondContact O-CG 3.43Å; K742-E746 PolarHBondContact O-N 2.66Å
743S83.8Confident81.3Confident19 Ų1953.3 Ų53.313%0.13326%0.258CS..Hα-helixtrans-62.1-42.3177.7-163.10000112.6Q713 Y739 I740 K747Q713-S743 PolarHBondContact O-OG 3.46Å; Y739-S743 WeakPolarHBondContact O-CB 3.48Å; Y739-S743 PolarHBondContact O-N 2.62Å; I740-S743 WeakPolarHBondContact O-CB 3.18Å; I740-S743 PolarHBondContact O-N 3.3Å; I740-S743 VanDerWaalsContact O-N 3.16Å; S743-K747 VanDerWaalsContact O-CB 3.32Å; S743-K747 WeakPolarHBondContact O-CB 3.43Å; S743-K747 WeakPolarHBondContact O-CG 3.46Å; S743-K747 PolarHBondContact O-N 2.97Å
744I84.1Confident81.4Confident5 Ų558.5 Ų58.53%0.02629%0.285CS..Hα-helixtrans-67.5-38.5175.3-65.6177.4000111.3L646 F659 P671 L675 I740 M741 K742 W748 F749L646-I744 HydrophobicContact CD1-CG2 4.17Å; L646-I744 HydrophobicContact CD2-CB 4.08Å; L646-I744 HydrophobicContact CD2-CG2 3.89Å; F659-I744 HydrophobicContact CE1-CG2 3.84Å; F659-I744 HydrophobicContact CZ-CG2 3.64Å; P671-I744 HydrophobicContact CB-CD1 3.69Å; P671-I744 HydrophobicContact CB-CG1 4.04Å; L675-I744 HydrophobicContact CD1-CD1 3.56Å; L675-I744 HydrophobicContact CG-CD1 4.39Å; I740-I744 HydrophobicContact CG2-CD1 4.2Å; I740-I744 HydrophobicContact CG2-CG1 4.5Å; I740-I744 WeakPolarHBondContact O-CG1 3.44Å; I740-I744 PolarHBondContact O-N 2.97Å; M741-I744 PolarHBondContact O-N 3.49Å; K742-I744 PolarHBondContact O-N 3.02Å; I744-W748 PolarHBondContact O-N 3.02Å; I744-F749 PolarHBondContact O-N 3.44Å; I744-F749 VanDerWaalsContact O-N 3.14Å
745E82.4Confident81.5Confident82 Ų8257.2 Ų57.238%0.38328%0.278SS..Iπ-helixtrans-63.8-43.3178.3-169168-161.500112.1L646 M741 K742 F749L646-E745 HydrophobicContact CD2-CB 4.05Å; M741-E745 WeakPolarHBondContact O-CB 3.34Å; M741-E745 PolarHBondContact O-N 3.12Å; K742-E745 PolarHBondContact O-N 2.98Å; E745-F749 HydrophobicContact CB-CB 4.49Å; E745-F749 HydrophobicContact CG-CB 4.23Å; E745-F749 HydrophobicContact CG-CD1 3.99Å; E745-F749 HydrophobicContact CG-CG 4.43Å; E745-F749 WeakPolarHBondContact O-CB 3.46Å
746E81Confident81.4Confident131 Ų13153.7 Ų53.761%0.61226%0.26SS*.Iπ-helixtrans-72.5-42.5179.4-71.3174.5176.900112.5K742K742-E746 WeakPolarHBondContact CE-OE1 3.48Å; K742-E746 HydrophobicContact CG-CG 4.49Å; K742-E746 IonicContact NZ-OE1 2.75Å; K742-E746 WeakPolarHBondContact O-CG 3.43Å; K742-E746 PolarHBondContact O-N 2.66Å
747K80.8Confident80.9Confident93 Ų9358.3 Ų58.340%0.40429%0.29SS..Iπ-helixtrans-83.8-35.3-173.6-68.3-179.1178.2177.80113.9Q713 S743Q713-K747 PolarHBondContact O-NZ 2.99Å; S743-K747 VanDerWaalsContact O-CB 3.32Å; S743-K747 WeakPolarHBondContact O-CB 3.43Å; S743-K747 WeakPolarHBondContact O-CG 3.46Å; S743-K747 PolarHBondContact O-N 2.97Å
748W83.9Confident79.7Confident53 Ų5362 Ų6220%0.20132%0.318CS..Iπ-helixtrans-129.7-26.7-164.1-57121.2000115.2F662 L663 R666 A668 I744 K750 D751 Y752F662-W748 HydrophobicContact CE1-CB 4.34Å; L663-W748 HydrophobicContact CD2-CB 3.74Å; L663-W748 HydrophobicContact CD2-CD2 4.21Å; L663-W748 HydrophobicContact CD2-CG 3.63Å; R666-W748 HydrophobicContact CB-CH2 4.23Å; R666-W748 HydrophobicContact CB-CZ3 4.27Å; R666-W748 VanDerWaalsContact CD-CZ3 3.5Å; R666-W748 HydrophobicContact CG-CZ3 4.47Å; A668-W748 HydrophobicContact CB-CZ2 3.92Å; I744-W748 PolarHBondContact O-N 3.02Å; W748-K750 PolarHBondContact O-N 3.34Å; W748-D751 PolarHBondContact O-N 3.19Å; W748-Y752 PolarHBondContact O-N 2.69Å; W748-Y752 VanDerWaalsContact O-N 3.1Å
749F83.3Confident78.4Confident4 Ų465.9 Ų65.92%0.01832%0.319CS..Iπ-helixtrans-69.4-35.4-172.2-178.5-117.4000113.4P643 N645 L646 V649 I744 E745 Y752 Q753P643-F749 HydrophobicContact CG-CE2 4.32Å; N645-F749 VanDerWaalsContact CA-CZ 3.44Å; N645-F749 WeakPolarHBondContact O-CZ 3.47Å; L646-F749 HydrophobicContact CB-CD2 4.25Å; L646-F749 HydrophobicContact CB-CE2 4.48Å; L646-F749 HydrophobicContact CB-CG 4.34Å; L646-F749 HydrophobicContact CD1-CD2 3.93Å; L646-F749 HydrophobicContact CD1-CG 4.41Å; V649-F749 HydrophobicContact CG2-CD2 4.37Å; V649-F749 HydrophobicContact CG2-CE2 3.67Å; I744-F749 PolarHBondContact O-N 3.44Å; I744-F749 VanDerWaalsContact O-N 3.14Å; E745-F749 HydrophobicContact CB-CB 4.49Å; E745-F749 HydrophobicContact CG-CB 4.23Å; E745-F749 HydrophobicContact CG-CD1 3.99Å; E745-F749 HydrophobicContact CG-CG 4.43Å; E745-F749 WeakPolarHBondContact O-CB 3.46Å; F749-Y752 HydrophobicContact CD2-CD1 4.38Å; F749-Y752 HydrophobicContact CE2-CD1 4.44Å; F749-Y752 PolarHBondContact O-N 3.5Å; F749-Q753 HydrophobicContact CD1-CG 4.25Å; F749-Q753 HydrophobicContact CD2-CG 4.34Å; F749-Q753 HydrophobicContact CE1-CG 3.81Å; F749-Q753 HydrophobicContact CE2-CG 3.89Å; F749-Q753 HydrophobicContact CG-CG 4.49Å; F749-Q753 HydrophobicContact CZ-CG 3.59Å; F749-Q753 WeakPolarHBondContact O-CG 3.42Å; F749-Q753 PolarHBondContact O-N 3.05Å
750K81.9Confident76.6Confident130 Ų13066.4 Ų66.457%0.56534%0.337SS*.Hα-helixtrans-62.2-48.5175.4-75.1-66.5179-165.70112.4W748 Y752 Q753 D754W748-K750 PolarHBondContact O-N 3.34Å; K750-Y752 PolarHBondContact O-N 2.93Å; K750-Q753 PolarHBondContact O-N 2.85Å; K750-Q753 VanDerWaalsContact O-N 3.09Å; K750-D754 PolarHBondContact O-N 3.3Å; K750-D754 VanDerWaalsContact O-N 3.08Å
751D80.6Confident74.6Confident73 Ų7373.3 Ų73.339%0.3937%0.369SS..Hα-helixtrans-59.1-35.6175.9-746.8000112F662 R666 W748F662-D751 HydrophobicContact CZ-CB 3.93Å; R666-D751 IonicContact CZ-OD2 3.3Å; R666-D751 IonicContact NH1-OD2 3.63Å; R666-D751 PolarHBondContact NH1-OD2 3.35Å; R666-D751 IonicContact NH2-OD2 2.68Å; W748-D751 PolarHBondContact O-N 3.19Å
752Y83.3Confident72.6Confident0 Ų081 Ų810%040%0.404CS..Hα-helixtrans-70.6-41.3174.6-179.6-106000112.7P643 V649 H655 F658 F659 F662 W748 F749 K750 D754 L755 F756P643-Y752 HydrophobicContact CG-CD1 4.25Å; P643-Y752 HydrophobicContact CG-CE1 3.81Å; V649-Y752 HydrophobicContact CG1-CE1 4.36Å; V649-Y752 HydrophobicContact CG2-CD1 4.38Å; V649-Y752 HydrophobicContact CG2-CE1 3.87Å; H655-Y752 AromaticContact ND1-CZ 3.99Å; H655-Y752 PolarHBondContact ND1-OH 2.92Å; H655-Y752 VanDerWaalsContact ND1-OH 3.08Å; H655-Y752 PolarHBondContact O-OH 2.83Å; F658-Y752 AromaticContact CD1-CE2 3.55Å; F658-Y752 HydrophobicContact CD1-CE2 3.55Å; F658-Y752 AromaticContact CD1-CZ 3.96Å; F658-Y752 HydrophobicContact CE1-CE2 4.02Å; F659-Y752 HydrophobicContact CB-CE1 4.43Å; F659-Y752 HydrophobicContact CB-CE2 3.94Å; F659-Y752 AromaticContact CD2-CD1 3.85Å; F659-Y752 HydrophobicContact CD2-CD1 3.85Å; F659-Y752 AromaticContact CD2-CD2 3.51Å; F659-Y752 HydrophobicContact CD2-CD2 3.51Å; F659-Y752 HydrophobicContact CD2-CE1 4.1Å; F659-Y752 AromaticContact CD2-CE2 3.75Å; F659-Y752 HydrophobicContact CD2-CE2 3.75Å; F659-Y752 AromaticContact CD2-CG 3.53Å; F659-Y752 HydrophobicContact CD2-CG 3.53Å; F659-Y752 HydrophobicContact CE2-CD1 4.24Å; F659-Y752 HydrophobicContact CE2-CD2 4.2Å; F659-Y752 AromaticContact CE2-CG 3.87Å; F659-Y752 HydrophobicContact CE2-CG 3.87Å; F659-Y752 HydrophobicContact CG-CE2 4.34Å; F662-Y752 HydrophobicContact CB-CD2 4.18Å; F662-Y752 HydrophobicContact CB-CE2 4.42Å; F662-Y752 HydrophobicContact CD1-CD2 4.01Å; F662-Y752 HydrophobicContact CD2-CD2 4.3Å; F662-Y752 HydrophobicContact CE1-CD2 4.48Å; F662-Y752 AromaticContact CG-CD2 3.91Å; F662-Y752 HydrophobicContact CG-CD2 3.91Å; W748-Y752 PolarHBondContact O-N 2.69Å; W748-Y752 VanDerWaalsContact O-N 3.1Å; F749-Y752 HydrophobicContact CD2-CD1 4.38Å; F749-Y752 HydrophobicContact CE2-CD1 4.44Å; F749-Y752 PolarHBondContact O-N 3.5Å; K750-Y752 PolarHBondContact O-N 2.93Å; Y752-D754 VanDerWaalsContact C-N 3.28Å; Y752-D754 PolarHBondContact O-N 3.12Å; Y752-L755 HydrophobicContact CD2-CD1 4.03Å; Y752-L755 VanDerWaalsContact O-CB 3.31Å; Y752-L755 WeakPolarHBondContact O-CB 3.37Å; Y752-L755 PolarHBondContact O-N 3.24Å; Y752-F756 HydrophobicContact CD1-CE2 4.27Å; Y752-F756 AromaticContact CE1-CE2 3.93Å; Y752-F756 HydrophobicContact CE1-CE2 3.93Å; Y752-F756 HydrophobicContact CE1-CZ 4.4Å; Y752-F756 HydrophobicContact CE2-CE2 4.32Å; Y752-F756 HydrophobicContact CE2-CZ 4.45Å; Y752-F756 AromaticContact CZ-CE2 3.96Å; Y752-F756 WeakPolarHBondContact O-CD2 3.18Å; Y752-F756 WeakPolarHBondContact O-CE2 3.37Å
753Q81.7Confident70.8Confident14 Ų1481.4 Ų81.47%0.06542%0.417CS..Hα-helixtrans-63.5-33.1177.9-76.2-169.9-48.500112.7R642 P643 R644 F749 K750 L755 F756R642-Q753 PolarHBondContact NE-O 3.42Å; P643-Q753 PolarHBondContact O-NE2 3.11Å; R644-Q753 PolarHBondContact O-NE2 3.21Å; F749-Q753 HydrophobicContact CD1-CG 4.25Å; F749-Q753 HydrophobicContact CD2-CG 4.34Å; F749-Q753 HydrophobicContact CE1-CG 3.81Å; F749-Q753 HydrophobicContact CE2-CG 3.89Å; F749-Q753 HydrophobicContact CG-CG 4.49Å; F749-Q753 HydrophobicContact CZ-CG 3.59Å; F749-Q753 WeakPolarHBondContact O-CG 3.42Å; F749-Q753 PolarHBondContact O-N 3.05Å; K750-Q753 PolarHBondContact O-N 2.85Å; K750-Q753 VanDerWaalsContact O-N 3.09Å; Q753-L755 PolarHBondContact O-N 3.41Å; Q753-F756 PolarHBondContact O-N 3.45Å
754D79.5Confident68.5Low109 Ų10989.8 Ų89.858%0.58345%0.454SS*.THydrogen-bonded Turntrans-74.9-6.8-180-69.7-15.5000113.3R642 K750 Y752 F756R642-D754 IonicContact CZ-OD1 3.95Å; R642-D754 IonicContact NH2-OD1 2.74Å; R642-D754 PolarHBondContact NH2-OD1 2.83Å; K750-D754 PolarHBondContact O-N 3.3Å; K750-D754 VanDerWaalsContact O-N 3.08Å; Y752-D754 VanDerWaalsContact C-N 3.28Å; Y752-D754 PolarHBondContact O-N 3.12Å; D754-F756 PolarHBondContact O-N 3.06Å
755L78.3Confident66.1Low47 Ų4794.9 Ų94.925%0.24649%0.485CS..THydrogen-bonded Turntrans-70.8-11.9167.5-59.3174.7000112.7M628 K638 F658 F662 Y752 Q753M628-L755 HydrophobicContact CE-CD1 4.33Å; M628-L755 HydrophobicContact CE-CD2 4.05Å; K638-L755 VanDerWaalsContact CE-O 3.32Å; K638-L755 WeakPolarHBondContact CE-O 3.08Å; K638-L755 PolarHBondContact NZ-O 3.38Å; F658-L755 HydrophobicContact CE1-CD1 4.34Å; F662-L755 HydrophobicContact CD2-CD1 3.8Å; F662-L755 HydrophobicContact CE2-CD1 3.94Å; Y752-L755 HydrophobicContact CD2-CD1 4.03Å; Y752-L755 VanDerWaalsContact O-CB 3.31Å; Y752-L755 WeakPolarHBondContact O-CB 3.37Å; Y752-L755 PolarHBondContact O-N 3.24Å; Q753-L755 PolarHBondContact O-N 3.41Å
756F78.1Confident63.9Low9 Ų999.1 Ų99.14%0.03951%0.505CS..SBendtrans-118.4140.9-174.2-54.4-89.3000113.2K638 P639 R642 F658 Y752 Q753 D754K638-F756 HydrophobicContact CG-CE1 3.98Å; P639-F756 HydrophobicContact CB-CE1 4.16Å; P639-F756 WeakPolarHBondContact O-CE1 3.08Å; R642-F756 HydrophobicContact CB-CB 3.65Å; R642-F756 HydrophobicContact CB-CG 4.34Å; R642-F756 HydrophobicContact CG-CB 3.94Å; F658-F756 HydrophobicContact CD1-CZ 4.16Å; F658-F756 HydrophobicContact CE1-CZ 4.14Å; Y752-F756 HydrophobicContact CD1-CE2 4.27Å; Y752-F756 AromaticContact CE1-CE2 3.93Å; Y752-F756 HydrophobicContact CE1-CE2 3.93Å; Y752-F756 HydrophobicContact CE1-CZ 4.4Å; Y752-F756 HydrophobicContact CE2-CE2 4.32Å; Y752-F756 HydrophobicContact CE2-CZ 4.45Å; Y752-F756 AromaticContact CZ-CE2 3.96Å; Y752-F756 WeakPolarHBondContact O-CD2 3.18Å; Y752-F756 WeakPolarHBondContact O-CE2 3.37Å; Q753-F756 PolarHBondContact O-N 3.45Å; D754-F756 PolarHBondContact O-N 3.06Å
757P67.8Low61.4Low98 Ų9898.6 Ų98.664%0.63652%0.515SS*.PPolyproline II helixtrans-62.5147.4177-19.530.9000113.4
758P58.3Low59.2Low113 Ų113103.1 Ų103.173%0.73454%0.538SS*.PPolyproline II helixtrans-71.6138.8173.327.6-30.9000111.9
759R49.7Very low56.6Low123 Ų123107.6 Ų107.646%0.46457%0.571SS.*PPolyproline II helixtrans-88.1146.7-175.6-62.7-168.5-156.2177.210.2113.6M641 R642M641-R759 VanDerWaalsContact CB-NH2 3.29Å; M641-R759 HydrophobicContact CE-CG 4.39Å; M641-R759 PolarHBondContact SD-NE 3.5Å; M641-R759 VanDerWaalsContact SD-NE 3.43Å; M641-R759 PolarHBondContact SD-NH1 3.3Å; M641-R759 PolarHBondContact SD-NH2 3.06Å; R642-R759 PolarHBondContact O-NH2 3.04Å
760P44.4Very low54.1Low131 Ų131116 Ų11685%0.85161%0.61SS**PPolyproline II helixtrans-91.6156170.231.1-25.8000114.3
761E41.6Very low51.6Low145 Ų145115.7 Ų115.768%0.67862%0.619SS**  trans-111.9131.4-174.4-70.7175.7158.500112.4
762E37.8Very low49.1Very low202 Ų202117.1 Ų117.194%0.94464%0.635SS**  trans-111.6155.3172.6-75.2177.2172.200112.2
763V44.1Very low46.7Very low128 Ų128122.4 Ų122.478%0.77667%0.672SS**  trans-124.5140-162.7174.30000112.1
764E35.3Very low44.4Very low195 Ų195133 Ų13391%0.91171%0.711SS**  trans-162.7168.2157.2-112173.9-15400114.1
765V34.4Very low42.5Very low113 Ų113136.7 Ų136.769%0.68572%0.722SS**  trans-129.1143.7-131.5156.90000115.3
766Q35.4Very low40.3Very low171 Ų171140.4 Ų140.480%0.79975%0.749SS**  trans52.9148.7152.5-64.8168.10.700122.2
767S29.5Very low38.2Very low119 Ų119143.9 Ų143.983%0.83277%0.774SS**  cis-162.2176.340-69.60000114.8
768E34.3Very low37.4Very low189 Ų189147.7 Ų147.788%0.88378%0.781SS**  trans-83.6159-162.4-58.3171.514400119.9
769V29.7Very low36.5Very low147 Ų147148.1 Ų148.189%0.89178%0.776SS**  -175.8141.1124.1171.70000110.8
770Q30.8Very low36Very low179 Ų179146.2 Ų146.284%0.83678%0.777SS**  trans-73.3158.5-176.6-59.5171.3-38.600113.5
771V28.1Very low36Very low124 Ų124142.9 Ų142.975%0.75276%0.757SS**  cis-160.4144.944.3170.70000112.2
772S29.8Very low35.9Very low103 Ų103139.9 Ų139.972%0.7275%0.749SS**SBendtrans86.8118.4158.274.30000122.2
773S31.2Very low36.2Very low111 Ų111138.7 Ų138.778%0.77674%0.737SS**  trans45.784.4163.665.20000118.3
774R34.3Very low36.3Very low238 Ų238136.7 Ų136.790%0.89872%0.721SS**  trans-162.2124.5154.7-101.5148.4-166.1-153.86.5110.7
775K39.1Very low37Very low186 Ų186130.5 Ų130.581%0.80969%0.693SS**  trans32.7127.6156.6-62.5177.2179.1177.30118S777K775-S777 PolarHBondContact O-N 2.97Å
776P32Very low37.9Very low125 Ų125129.9 Ų129.981%0.81268%0.682SS**  trans-67.2111.1170.121.6-17.8000109.2
777S35.6Very low38.8Very low82 Ų82124.1 Ų124.157%0.57366%0.661SS**  trans-75152.3-176.548.10000111.7K775 I779 V780K775-S777 PolarHBondContact O-N 2.97Å; S777-I779 PolarHBondContact O-N 3.45Å; S777-V780 PolarHBondContact O-N 3.21Å
778K49.8Very low40.1Very low177 Ų177123.8 Ų123.877%0.7765%0.646SS**Hα-helixtrans-53-12.3-170.2-74.7172.2174.2174.20116.9V780 S781 T782K778-V780 VanDerWaalsContact C-N 3.33Å; K778-S781 CarbonylContact O-C 3.58Å; K778-S781 WeakPolarHBondContact O-CA 3.26Å; K778-S781 PolarHBondContact O-N 3.42Å; K778-S781 PolarHBondContact O-OG 3.4Å; K778-T782 PolarHBondContact O-N 3.01Å; K778-T782 PolarHBondContact O-OG1 3.48Å
779I39.2Very low41.5Very low123 Ų123120.6 Ų120.663%0.63163%0.629SS**Hα-helixtrans-69.6-34.2173.1-62.8166.8000110.8S777 S781 T782 Y783S777-I779 PolarHBondContact O-N 3.45Å; I779-S781 VanDerWaalsContact C-N 3.27Å; I779-S781 PolarHBondContact O-N 2.97Å; I779-T782 PolarHBondContact O-N 3.17Å; I779-Y783 WeakPolarHBondContact O-CB 3.48Å; I779-Y783 PolarHBondContact O-N 3.06Å
780V39.8Very low43.3Very low82 Ų82118.7 Ų118.750%0.49761%0.609SS.*Hα-helixtrans-62.9-40167.5179.40000108.4S777 K778 L784S777-V780 PolarHBondContact O-N 3.21Å; K778-V780 VanDerWaalsContact C-N 3.33Å; V780-L784 VanDerWaalsContact O-CA 3.31Å; V780-L784 WeakPolarHBondContact O-CA 3.37Å; V780-L784 WeakPolarHBondContact O-CB 3.34Å; V780-L784 PolarHBondContact O-N 3.37Å
781S43.2Very low44.9Very low61 Ų61111.6 Ų111.643%0.42758%0.584SS.*Hα-helixtrans-70.6-33.1179.4111.20000114.2K778 I779 L784 Q785K778-S781 CarbonylContact O-C 3.58Å; K778-S781 WeakPolarHBondContact O-CA 3.26Å; K778-S781 PolarHBondContact O-N 3.42Å; K778-S781 PolarHBondContact O-OG 3.4Å; I779-S781 VanDerWaalsContact C-N 3.27Å; I779-S781 PolarHBondContact O-N 2.97Å; S781-L784 CarbonylContact O-C 2.87Å; S781-L784 PolarHBondContact O-N 3.17Å; S781-Q785 WeakPolarHBondContact O-CA 3.31Å; S781-Q785 WeakPolarHBondContact O-CB 3.29Å; S781-Q785 PolarHBondContact O-N 3.43Å
782T41.3Very low47Very low83 Ų83113.4 Ų113.451%0.50958%0.578SS.*Hα-helixtrans-77-37.3173.514.40000112.4K778 I779 L784 Q785 E786K778-T782 PolarHBondContact O-N 3.01Å; K778-T782 PolarHBondContact O-OG1 3.48Å; I779-T782 PolarHBondContact O-N 3.17Å; T782-L784 VanDerWaalsContact C-N 3.3Å; T782-Q785 PolarHBondContact O-N 3.49Å; T782-E786 VanDerWaalsContact O-CB 3.23Å; T782-E786 WeakPolarHBondContact O-CB 3.38Å; T782-E786 PolarHBondContact O-N 2.81Å
783Y42.6Very low49Very low177 Ų177114.2 Ų114.269%0.69457%0.573SS**Hα-helixtrans-68.8-31.5168.3-158.3-97.1000110.9I779 S787I779-Y783 WeakPolarHBondContact O-CB 3.48Å; I779-Y783 PolarHBondContact O-N 3.06Å; Y783-S787 WeakPolarHBondContact O-CA 3.32Å; Y783-S787 WeakPolarHBondContact O-CB 3.3Å; Y783-S787 PolarHBondContact O-N 2.96Å; Y783-S787 PolarHBondContact O-OG 3.43Å
784L46.2Very low51Low85 Ų85118.1 Ų118.145%0.44557%0.571SS.*Hα-helixtrans-71.2-35.7171.6-149.284.6000110.1V780 S781 T782 S787 Q788V780-L784 VanDerWaalsContact O-CA 3.31Å; V780-L784 WeakPolarHBondContact O-CA 3.37Å; V780-L784 WeakPolarHBondContact O-CB 3.34Å; V780-L784 PolarHBondContact O-N 3.37Å; S781-L784 CarbonylContact O-C 2.87Å; S781-L784 PolarHBondContact O-N 3.17Å; T782-L784 VanDerWaalsContact C-N 3.3Å; L784-S787 VanDerWaalsContact CA-OG 3.25Å; L784-S787 WeakPolarHBondContact CA-OG 3.4Å; L784-S787 CarbonylContact O-C 3.39Å; L784-S787 PolarHBondContact O-OG 2.86Å; L784-Q788 VanDerWaalsContact O-CA 3.26Å; L784-Q788 WeakPolarHBondContact O-CA 2.76Å; L784-Q788 WeakPolarHBondContact O-CB 3.49Å; L784-Q788 VanDerWaalsContact O-CD 3.29Å; L784-Q788 WeakPolarHBondContact O-CG 3.49Å; L784-Q788 PolarHBondContact O-N 3.45Å
785Q50.5Low52.8Low66 Ų66110.8 Ų110.831%0.30855%0.548SS..Hα-helixtrans-83.5-30.4-177.7-165.1178.15.100111.3S781 T782 Q788 K789S781-Q785 WeakPolarHBondContact O-CA 3.31Å; S781-Q785 WeakPolarHBondContact O-CB 3.29Å; S781-Q785 PolarHBondContact O-N 3.43Å; T782-Q785 PolarHBondContact O-N 3.49Å; Q785-Q788 CarbonylContact O-C 3.57Å; Q785-K789 VanDerWaalsContact O-CB 3.31Å; Q785-K789 WeakPolarHBondContact O-CB 3.31Å; Q785-K789 VanDerWaalsContact O-CG 3.27Å; Q785-K789 WeakPolarHBondContact O-CG 3.39Å; Q785-K789 PolarHBondContact O-N 2.88Å
786E52.4Low54.5Low100 Ų100104.3 Ų104.347%0.46752%0.521SS..Hα-helixtrans-82.4-34.2170.5-152.3-171.4-133.100111.4T782 Q788 K789 K790T782-E786 VanDerWaalsContact O-CB 3.23Å; T782-E786 WeakPolarHBondContact O-CB 3.38Å; T782-E786 PolarHBondContact O-N 2.81Å; E786-Q788 VanDerWaalsContact C-N 3.33Å; E786-K789 PolarHBondContact O-N 3.19Å; E786-K790 WeakPolarHBondContact O-CB 3.46Å; E786-K790 WeakPolarHBondContact O-CD 3.34Å; E786-K790 WeakPolarHBondContact O-CG 3.46Å; E786-K790 PolarHBondContact O-N 3.3Å; E786-K790 IonicContact OE2-NZ 3.24Å; E786-K790 PolarHBondContact OE2-NZ 2.92Å
787S55.6Low56.6Low50 Ų50101.8 Ų101.835%0.3551%0.507SS..Hα-helixtrans-73.1-23.4165.270.90000112.6Y783 L784 G791Y783-S787 WeakPolarHBondContact O-CA 3.32Å; Y783-S787 WeakPolarHBondContact O-CB 3.3Å; Y783-S787 PolarHBondContact O-N 2.96Å; Y783-S787 PolarHBondContact O-OG 3.43Å; L784-S787 VanDerWaalsContact CA-OG 3.25Å; L784-S787 WeakPolarHBondContact CA-OG 3.4Å; L784-S787 CarbonylContact O-C 3.39Å; L784-S787 PolarHBondContact O-OG 2.86Å; S787-G791 WeakPolarHBondContact O-CA 3.32Å; S787-G791 PolarHBondContact O-N 3.06Å
788Q56.3Low58.7Low112 Ų112100.7 Ų100.752%0.52349%0.492SS..Hα-helixtrans-78.8-37167.9-82.6165.28.200109.7L784 Q785 E786 G791 W792L784-Q788 VanDerWaalsContact O-CA 3.26Å; L784-Q788 WeakPolarHBondContact O-CA 2.76Å; L784-Q788 WeakPolarHBondContact O-CB 3.49Å; L784-Q788 VanDerWaalsContact O-CD 3.29Å; L784-Q788 WeakPolarHBondContact O-CG 3.49Å; L784-Q788 PolarHBondContact O-N 3.45Å; Q785-Q788 CarbonylContact O-C 3.57Å; E786-Q788 VanDerWaalsContact C-N 3.33Å; Q788-G791 CarbonylContact O-C 3.57Å; Q788-G791 PolarHBondContact O-N 2.69Å; Q788-W792 WeakPolarHBondContact O-CA 3.25Å; Q788-W792 WeakPolarHBondContact O-CB 3.37Å; Q788-W792 PolarHBondContact O-N 2.89Å
789K64.3Low60.1Low122 Ų12296 Ų9653%0.5347%0.474SS..Hα-helixtrans-67.8-46.8171.6-81175.9-178.5173.50110.7Q785 E786 G791 W792 L793Q785-K789 VanDerWaalsContact O-CB 3.31Å; Q785-K789 WeakPolarHBondContact O-CB 3.31Å; Q785-K789 VanDerWaalsContact O-CG 3.27Å; Q785-K789 WeakPolarHBondContact O-CG 3.39Å; Q785-K789 PolarHBondContact O-N 2.88Å; E786-K789 PolarHBondContact O-N 3.19Å; K789-G791 VanDerWaalsContact C-N 3.28Å; K789-G791 PolarHBondContact O-N 2.99Å; K789-W792 PolarHBondContact O-N 3.1Å; K789-L793 WeakPolarHBondContact O-CB 3.5Å; K789-L793 VanDerWaalsContact O-CG 3.26Å; K789-L793 WeakPolarHBondContact O-CG 3.49Å; K789-L793 PolarHBondContact O-N 3.16Å
790K66.3Low62.2Low107 Ų10798.1 Ų98.147%0.46547%0.474SS..Hα-helixtrans-62.4-37.3170.7-71.7166179.8158.20110.6E786 R794E786-K790 WeakPolarHBondContact O-CB 3.46Å; E786-K790 WeakPolarHBondContact O-CD 3.34Å; E786-K790 WeakPolarHBondContact O-CG 3.46Å; E786-K790 PolarHBondContact O-N 3.3Å; E786-K790 IonicContact OE2-NZ 3.24Å; E786-K790 PolarHBondContact OE2-NZ 2.92Å; K790-R794 VanDerWaalsContact O-CB 3.28Å; K790-R794 WeakPolarHBondContact O-CB 3.32Å; K790-R794 WeakPolarHBondContact O-CG 3.09Å; K790-R794 PolarHBondContact O-N 2.86Å
791G65.7Low64.2Low30 Ų3095.1 Ų95.131%0.30946%0.457SS..Hα-helixtrans-69.7-34.6176.100000112.7S787 Q788 K789 R794 M795S787-G791 WeakPolarHBondContact O-CA 3.32Å; S787-G791 PolarHBondContact O-N 3.06Å; Q788-G791 CarbonylContact O-C 3.57Å; Q788-G791 PolarHBondContact O-N 2.69Å; K789-G791 VanDerWaalsContact C-N 3.28Å; K789-G791 PolarHBondContact O-N 2.99Å; G791-R794 CarbonylContact O-C 3.56Å; G791-R794 WeakPolarHBondContact O-CB 3.43Å; G791-R794 PolarHBondContact O-N 3.11Å; G791-M795 VanDerWaalsContact O-CB 3.24Å; G791-M795 WeakPolarHBondContact O-CB 3.38Å; G791-M795 PolarHBondContact O-N 3.32Å
792W70.9Confident66.2Low162 Ų16294.9 Ų94.961%0.61445%0.448SS*.Hα-helixtrans-80-35.7177.9-158.4-137.4000110.6Q788 K789 M795 I796Q788-W792 WeakPolarHBondContact O-CA 3.25Å; Q788-W792 WeakPolarHBondContact O-CB 3.37Å; Q788-W792 PolarHBondContact O-N 2.89Å; K789-W792 PolarHBondContact O-N 3.1Å; W792-M795 HydrophobicContact CE3-CB 3.68Å; W792-M795 HydrophobicContact CE3-CG 3.79Å; W792-M795 HydrophobicContact CH2-CG 4.45Å; W792-M795 HydrophobicContact CZ3-CB 4Å; W792-M795 HydrophobicContact CZ3-CG 3.55Å; W792-M795 CarbonylContact O-C 3.6Å; W792-M795 PolarHBondContact O-N 2.93Å; W792-I796 HydrophobicContact CG-CD1 4.41Å; W792-I796 VanDerWaalsContact O-CB 3.29Å; W792-I796 WeakPolarHBondContact O-CB 3.43Å; W792-I796 WeakPolarHBondContact O-CD1 3.46Å; W792-I796 WeakPolarHBondContact O-CG1 3.29Å; W792-I796 PolarHBondContact O-N 3.32Å
793L71.8Confident68.1Low119 Ų11993.7 Ų93.762%0.62344%0.443SS*.Hα-helixtrans-65.6-39.9166.3-71.4170.6000111.6K789 M795 S797K789-L793 WeakPolarHBondContact O-CB 3.5Å; K789-L793 VanDerWaalsContact O-CG 3.26Å; K789-L793 WeakPolarHBondContact O-CG 3.49Å; K789-L793 PolarHBondContact O-N 3.16Å; L793-M795 VanDerWaalsContact C-N 3.34Å; L793-S797 WeakPolarHBondContact O-CB 3.48Å; L793-S797 PolarHBondContact O-N 3.42Å
794R73Confident70.1Confident193 Ų19392.1 Ų92.173%0.72844%0.439SS*.Hα-helixtrans-64.3-38.9171.3-77.2171.1-174.9-170.43111.4K790 G791 S797 F798K790-R794 VanDerWaalsContact O-CB 3.28Å; K790-R794 WeakPolarHBondContact O-CB 3.32Å; K790-R794 WeakPolarHBondContact O-CG 3.09Å; K790-R794 PolarHBondContact O-N 2.86Å; G791-R794 CarbonylContact O-C 3.56Å; G791-R794 WeakPolarHBondContact O-CB 3.43Å; G791-R794 PolarHBondContact O-N 3.11Å; R794-S797 PolarHBondContact O-N 2.76Å; R794-F798 VanDerWaalsContact O-CB 3.24Å; R794-F798 WeakPolarHBondContact O-CB 3.39Å; R794-F798 PolarHBondContact O-N 2.95Å
795M72.1Confident72.1Confident84 Ų8488.7 Ų88.741%0.41442%0.421SS..Hα-helixtrans-68.8-46.6176.5-174.363.379.400111.2G791 W792 L793 S797 F798 I799G791-M795 VanDerWaalsContact O-CB 3.24Å; G791-M795 WeakPolarHBondContact O-CB 3.38Å; G791-M795 PolarHBondContact O-N 3.32Å; W792-M795 HydrophobicContact CE3-CB 3.68Å; W792-M795 HydrophobicContact CE3-CG 3.79Å; W792-M795 HydrophobicContact CH2-CG 4.45Å; W792-M795 HydrophobicContact CZ3-CB 4Å; W792-M795 HydrophobicContact CZ3-CG 3.55Å; W792-M795 CarbonylContact O-C 3.6Å; W792-M795 PolarHBondContact O-N 2.93Å; L793-M795 VanDerWaalsContact C-N 3.34Å; M795-S797 VanDerWaalsContact C-N 3.3Å; M795-S797 PolarHBondContact O-N 3.2Å; M795-F798 CarbonylContact O-C 3.56Å; M795-F798 WeakPolarHBondContact O-CA 3.42Å; M795-F798 WeakPolarHBondContact O-CB 3.43Å; M795-F798 PolarHBondContact O-N 2.73Å; M795-F798 VanDerWaalsContact O-N 3.09Å; M795-F798 HydrophobicContact SD-CD1 4.35Å; M795-I799 HydrophobicContact CG-CD1 3.86Å; M795-I799 HydrophobicContact CG-CG1 4.36Å; M795-I799 WeakPolarHBondContact O-CB 3.26Å; M795-I799 VanDerWaalsContact O-CG1 3.26Å; M795-I799 WeakPolarHBondContact O-CG1 3.36Å; M795-I799 PolarHBondContact O-N 3.4Å; M795-I799 HydrophobicContact SD-CD1 4.46Å; M795-I799 HydrophobicContact SD-CG1 4.46Å
796I76Confident73.6Confident51 Ų5192.3 Ų92.326%0.26243%0.431SS..Hα-helixtrans-61.1-41.9174.3-70.9164000110W792 F798 I799 R800W792-I796 HydrophobicContact CG-CD1 4.41Å; W792-I796 VanDerWaalsContact O-CB 3.29Å; W792-I796 WeakPolarHBondContact O-CB 3.43Å; W792-I796 WeakPolarHBondContact O-CD1 3.46Å; W792-I796 WeakPolarHBondContact O-CG1 3.29Å; W792-I796 PolarHBondContact O-N 3.32Å; I796-F798 VanDerWaalsContact C-N 3.32Å; I796-F798 PolarHBondContact O-N 2.75Å; I796-I799 PolarHBondContact O-N 3.44Å; I796-R800 HydrophobicContact CG2-CG 4.41Å; I796-R800 VanDerWaalsContact O-CB 3.29Å; I796-R800 WeakPolarHBondContact O-CB 3.27Å; I796-R800 WeakPolarHBondContact O-CG 3.39Å; I796-R800 PolarHBondContact O-N 3.08Å
797S75.7Confident75Confident72 Ų7297 Ų9750%0.50345%0.445SS..Hα-helixtrans-62.7-39.9173.7-177.50000111.6L793 R794 M795 S801L793-S797 WeakPolarHBondContact O-CB 3.48Å; L793-S797 PolarHBondContact O-N 3.42Å; R794-S797 PolarHBondContact O-N 2.76Å; M795-S797 VanDerWaalsContact C-N 3.3Å; M795-S797 PolarHBondContact O-N 3.2Å; S797-S801 VanDerWaalsContact O-CB 3.23Å; S797-S801 WeakPolarHBondContact O-CB 3.49Å; S797-S801 PolarHBondContact O-N 3.42Å
798F79.1Confident76.4Confident59 Ų5996.1 Ų96.126%0.25944%0.435SS..Hα-helixtrans-65.4-48.1174.8-178.2-98.5000112.3R794 M795 I796 R800 S801 F802 F969 M973R794-F798 VanDerWaalsContact O-CB 3.24Å; R794-F798 WeakPolarHBondContact O-CB 3.39Å; R794-F798 PolarHBondContact O-N 2.95Å; M795-F798 CarbonylContact O-C 3.56Å; M795-F798 WeakPolarHBondContact O-CA 3.42Å; M795-F798 WeakPolarHBondContact O-CB 3.43Å; M795-F798 PolarHBondContact O-N 2.73Å; M795-F798 VanDerWaalsContact O-N 3.09Å; M795-F798 HydrophobicContact SD-CD1 4.35Å; I796-F798 VanDerWaalsContact C-N 3.32Å; I796-F798 PolarHBondContact O-N 2.75Å; F798-R800 PolarHBondContact O-N 3.48Å; F798-S801 CarbonylContact O-C 3.46Å; F798-S801 WeakPolarHBondContact O-CA 3.33Å; F798-S801 VanDerWaalsContact O-CB 3.31Å; F798-S801 WeakPolarHBondContact O-CB 3.44Å; F798-S801 PolarHBondContact O-N 2.99Å; F798-S801 VanDerWaalsContact O-N 3.11Å; F798-F802 WeakPolarHBondContact O-CB 3.28Å; F798-F802 PolarHBondContact O-N 3Å; F798-F969 AromaticContact CE1-CE1 3.86Å; F798-F969 HydrophobicContact CE1-CE1 3.86Å; F798-F969 AromaticContact CE1-CZ 3.78Å; F798-F969 HydrophobicContact CE1-CZ 3.78Å; F798-F969 AromaticContact CZ-CE1 3.44Å; F798-F969 HydrophobicContact CZ-CE1 3.44Å; F798-F969 VanDerWaalsContact CZ-CE1 3.44Å; F798-F969 AromaticContact CZ-CZ 3.44Å; F798-F969 HydrophobicContact CZ-CZ 3.44Å; F798-F969 VanDerWaalsContact CZ-CZ 3.44Å; F798-M973 HydrophobicContact CD2-CE 4.32Å; F798-M973 HydrophobicContact CE2-CB 4.15Å; F798-M973 HydrophobicContact CE2-CE 3.84Å; F798-M973 HydrophobicContact CE2-CG 4.08Å; F798-M973 HydrophobicContact CZ-CE 4.24Å; F798-M973 HydrophobicContact CZ-CG 4.08Å
799I80.9Confident77.6Confident78 Ų7892.1 Ų92.140%0.442%0.417SS..Hα-helixtrans-59.6-47.6175.6-67.7165.5000109.5M795 I796 S801 F802 C803M795-I799 HydrophobicContact CG-CD1 3.86Å; M795-I799 HydrophobicContact CG-CG1 4.36Å; M795-I799 WeakPolarHBondContact O-CB 3.26Å; M795-I799 VanDerWaalsContact O-CG1 3.26Å; M795-I799 WeakPolarHBondContact O-CG1 3.36Å; M795-I799 PolarHBondContact O-N 3.4Å; M795-I799 HydrophobicContact SD-CD1 4.46Å; M795-I799 HydrophobicContact SD-CG1 4.46Å; I796-I799 PolarHBondContact O-N 3.44Å; I799-S801 VanDerWaalsContact C-N 3.3Å; I799-S801 PolarHBondContact O-N 3Å; I799-F802 CarbonylContact O-C 3.51Å; I799-F802 PolarHBondContact O-N 3.26Å; I799-F802 VanDerWaalsContact O-N 3.14Å; I799-C803 WeakPolarHBondContact O-CB 3.42Å; I799-C803 PolarHBondContact O-N 3.04Å; I799-C803 PolarHBondContact O-SG 3.4Å
800R81.9Confident78.4Confident168 Ų16893 Ų9363%0.63443%0.426SS*.Hα-helixtrans-59.7-41.5174.4-74.5174.7-174.2165.52.9111.6I796 F798 F802 C803 K804I796-R800 HydrophobicContact CG2-CG 4.41Å; I796-R800 VanDerWaalsContact O-CB 3.29Å; I796-R800 WeakPolarHBondContact O-CB 3.27Å; I796-R800 WeakPolarHBondContact O-CG 3.39Å; I796-R800 PolarHBondContact O-N 3.08Å; F798-R800 PolarHBondContact O-N 3.48Å; R800-F802 VanDerWaalsContact C-N 3.32Å; R800-C803 PolarHBondContact O-N 3.31Å; R800-K804 WeakPolarHBondContact O-CB 3.34Å; R800-K804 VanDerWaalsContact O-CG 3.26Å; R800-K804 WeakPolarHBondContact O-CG 3.42Å; R800-K804 PolarHBondContact O-N 3.11Å
801S83Confident79Confident19 Ų1990.7 Ų90.713%0.13342%0.419CS..Hα-helixtrans-62.8-39.8175.9-174.60000111.6S797 F798 I799 Y805 W976S797-S801 VanDerWaalsContact O-CB 3.23Å; S797-S801 WeakPolarHBondContact O-CB 3.49Å; S797-S801 PolarHBondContact O-N 3.42Å; F798-S801 CarbonylContact O-C 3.46Å; F798-S801 WeakPolarHBondContact O-CA 3.33Å; F798-S801 VanDerWaalsContact O-CB 3.31Å; F798-S801 WeakPolarHBondContact O-CB 3.44Å; F798-S801 PolarHBondContact O-N 2.99Å; F798-S801 VanDerWaalsContact O-N 3.11Å; I799-S801 VanDerWaalsContact C-N 3.3Å; I799-S801 PolarHBondContact O-N 3Å; S801-Y805 WeakPolarHBondContact O-CB 3.32Å; S801-Y805 PolarHBondContact O-N 2.86Å; S801-W976 PolarHBondContact O-NE1 3.2Å; S801-W976 VanDerWaalsContact O-NE1 3.11Å
802F83.5Confident79.4Confident56 Ų5693.7 Ų93.725%0.24643%0.433CS..Hα-helixtrans-72.7-41177.5179.5-110.9000112.2F798 I799 R800 K804 Y805 R806 F885 F969 M973F798-F802 WeakPolarHBondContact O-CB 3.28Å; F798-F802 PolarHBondContact O-N 3Å; I799-F802 CarbonylContact O-C 3.51Å; I799-F802 PolarHBondContact O-N 3.26Å; I799-F802 VanDerWaalsContact O-N 3.14Å; R800-F802 VanDerWaalsContact C-N 3.32Å; F802-K804 VanDerWaalsContact C-N 3.29Å; F802-K804 PolarHBondContact O-N 2.84Å; F802-Y805 AromaticContact CD2-CD1 3.95Å; F802-Y805 HydrophobicContact CD2-CD1 3.95Å; F802-Y805 AromaticContact CE2-CD1 3.88Å; F802-Y805 HydrophobicContact CE2-CD1 3.88Å; F802-Y805 HydrophobicContact CE2-CE1 4.22Å; F802-Y805 CarbonylContact O-C 3.59Å; F802-Y805 VanDerWaalsContact O-CB 3.31Å; F802-Y805 WeakPolarHBondContact O-CB 3.38Å; F802-Y805 PolarHBondContact O-N 2.78Å; F802-Y805 VanDerWaalsContact O-N 3.16Å; F802-R806 PolarHBondContact O-N 3.14Å; F802-F885 HydrophobicContact CE2-CZ 4.5Å; F802-F969 AromaticContact CD2-CE2 3.67Å; F802-F969 HydrophobicContact CD2-CE2 3.67Å; F802-F969 HydrophobicContact CD2-CZ 4.08Å; F802-F969 AromaticContact CE2-CE2 3.61Å; F802-F969 HydrophobicContact CE2-CE2 3.61Å; F802-F969 HydrophobicContact CE2-CZ 4.33Å; F802-F969 HydrophobicContact CZ-CE2 4.46Å; F802-M973 HydrophobicContact CB-CE 4.14Å; F802-M973 HydrophobicContact CD2-SD 3.96Å
803C82.4Confident79.6Confident57 Ų5792 Ų9239%0.38544%0.436SS..Hα-helixtrans-61.9-38.8172.4-65.40000111.4I799 R800 R806 R807I799-C803 WeakPolarHBondContact O-CB 3.42Å; I799-C803 PolarHBondContact O-N 3.04Å; I799-C803 PolarHBondContact O-SG 3.4Å; R800-C803 PolarHBondContact O-N 3.31Å; C803-R806 PolarHBondContact O-N 2.97Å; C803-R807 WeakPolarHBondContact O-CB 3.43Å; C803-R807 WeakPolarHBondContact O-CG 3.29Å; C803-R807 PolarHBondContact O-N 2.68Å
804K84.5Confident80Confident145 Ų14590.8 Ų90.863%0.6343%0.426SS*.Hα-helixtrans-63.6-45.4171.8-76.5177.8-178.6-173.90111.4R800 F802 R807 F808R800-K804 WeakPolarHBondContact O-CB 3.34Å; R800-K804 VanDerWaalsContact O-CG 3.26Å; R800-K804 WeakPolarHBondContact O-CG 3.42Å; R800-K804 PolarHBondContact O-N 3.11Å; F802-K804 VanDerWaalsContact C-N 3.29Å; F802-K804 PolarHBondContact O-N 2.84Å; K804-R807 PolarHBondContact O-N 2.93Å; K804-F808 VanDerWaalsContact O-CB 3.23Å; K804-F808 WeakPolarHBondContact O-CB 3.39Å; K804-F808 PolarHBondContact O-N 3.12Å
805Y87.1Confident80.4Confident13 Ų1384.8 Ų84.85%0.05140%0.403CS..Hα-helixtrans-54.4-53.5173.2166.6-93.4000111.1S801 F802 R807 F808 M809 L882 F885 I972 W976S801-Y805 WeakPolarHBondContact O-CB 3.32Å; S801-Y805 PolarHBondContact O-N 2.86Å; F802-Y805 AromaticContact CD2-CD1 3.95Å; F802-Y805 HydrophobicContact CD2-CD1 3.95Å; F802-Y805 AromaticContact CE2-CD1 3.88Å; F802-Y805 HydrophobicContact CE2-CD1 3.88Å; F802-Y805 HydrophobicContact CE2-CE1 4.22Å; F802-Y805 CarbonylContact O-C 3.59Å; F802-Y805 VanDerWaalsContact O-CB 3.31Å; F802-Y805 WeakPolarHBondContact O-CB 3.38Å; F802-Y805 PolarHBondContact O-N 2.78Å; F802-Y805 VanDerWaalsContact O-N 3.16Å; Y805-R807 PolarHBondContact O-N 3.16Å; Y805-F808 WeakPolarHBondContact O-CA 3.21Å; Y805-F808 WeakPolarHBondContact O-CB 3.12Å; Y805-F808 PolarHBondContact O-N 3.29Å; Y805-M809 HydrophobicContact CD1-CG 4.32Å; Y805-M809 HydrophobicContact CD2-CE 3.68Å; Y805-M809 HydrophobicContact CD2-CG 3.98Å; Y805-M809 HydrophobicContact CE1-CG 3.95Å; Y805-M809 HydrophobicContact CE2-CE 3.26Å; Y805-M809 HydrophobicContact CE2-CG 3.62Å; Y805-M809 HydrophobicContact CE2-SD 4.14Å; Y805-M809 HydrophobicContact CG-CG 4.31Å; Y805-M809 WeakPolarHBondContact O-CG 3.37Å; Y805-M809 PolarHBondContact O-N 2.88Å; Y805-L882 HydrophobicContact CE2-CD1 4.28Å; Y805-L882 WeakPolarHBondContact OH-CD1 3.31Å; Y805-F885 HydrophobicContact CE1-CE1 4.34Å; Y805-I972 HydrophobicContact CE2-CG2 3.72Å; Y805-W976 HydrophobicContact CD2-CB 4.33Å; Y805-W976 AromaticContact CD2-CD2 3.7Å; Y805-W976 HydrophobicContact CD2-CD2 3.7Å; Y805-W976 AromaticContact CD2-CE3 3.81Å; Y805-W976 HydrophobicContact CD2-CE3 3.81Å; Y805-W976 AromaticContact CD2-CG 3.91Å; Y805-W976 HydrophobicContact CD2-CG 3.91Å; Y805-W976 HydrophobicContact CD2-CZ3 4.43Å; Y805-W976 HydrophobicContact CG-CD2 4.35Å; Y805-W976 HydrophobicContact CG-CG 4.5Å
806R82.6Confident80.8Confident141 Ų14185 Ų8553%0.53240%0.403SS..Hα-helixtrans-59.3-46.1-178.7-169.5176.1175.7-156.9-5.7111.8F802 C803 F808 M809 L810 E889F802-R806 PolarHBondContact O-N 3.14Å; C803-R806 PolarHBondContact O-N 2.97Å; R806-F808 VanDerWaalsContact C-N 3.28Å; R806-F808 PolarHBondContact O-N 3.17Å; R806-M809 PolarHBondContact O-N 3.42Å; R806-L810 WeakPolarHBondContact O-CG 3.47Å; R806-L810 PolarHBondContact O-N 3.3Å; R806-E889 IonicContact NE-OE1 3.51Å
807R83Confident81.2Confident200 Ų20086.6 Ų86.676%0.75541%0.41SS*.Hα-helixtrans-62.5-33.7175-72.5178.7-176.5178.41113.1C803 K804 Y805C803-R807 WeakPolarHBondContact O-CB 3.43Å; C803-R807 WeakPolarHBondContact O-CG 3.29Å; C803-R807 PolarHBondContact O-N 2.68Å; K804-R807 PolarHBondContact O-N 2.93Å; Y805-R807 PolarHBondContact O-N 3.16Å
808F84.1Confident81.7Confident30 Ų3083.3 Ų83.313%0.13239%0.386CS..Hα-helixtrans-75.5-38.8179.5-165.8-93.5000111.9K804 Y805 R806 L810 N811 K814 F818 W976 F979K804-F808 VanDerWaalsContact O-CB 3.23Å; K804-F808 WeakPolarHBondContact O-CB 3.39Å; K804-F808 PolarHBondContact O-N 3.12Å; Y805-F808 WeakPolarHBondContact O-CA 3.21Å; Y805-F808 WeakPolarHBondContact O-CB 3.12Å; Y805-F808 PolarHBondContact O-N 3.29Å; R806-F808 VanDerWaalsContact C-N 3.28Å; R806-F808 PolarHBondContact O-N 3.17Å; F808-L810 VanDerWaalsContact C-N 3.3Å; F808-L810 PolarHBondContact O-N 3Å; F808-N811 PolarHBondContact O-N 3.42Å; F808-K814 HydrophobicContact CD1-CB 4.03Å; F808-K814 HydrophobicContact CD2-CB 4.04Å; F808-K814 HydrophobicContact CD2-CD 3.94Å; F808-K814 HydrophobicContact CD2-CG 4.39Å; F808-K814 VanDerWaalsContact CE1-C 3.47Å; F808-K814 HydrophobicContact CE1-CB 3.77Å; F808-K814 WeakPolarHBondContact CE1-O 3.3Å; F808-K814 HydrophobicContact CE2-CB 3.74Å; F808-K814 HydrophobicContact CE2-CD 3.89Å; F808-K814 HydrophobicContact CE2-CG 3.97Å; F808-K814 HydrophobicContact CG-CB 4.16Å; F808-K814 HydrophobicContact CZ-CB 3.6Å; F808-K814 HydrophobicContact CZ-CG 4.19Å; F808-K814 WeakPolarHBondContact CZ-O 3.11Å; F808-F818 HydrophobicContact CE1-CB 4.26Å; F808-W976 HydrophobicContact CB-CH2 3.55Å; F808-W976 HydrophobicContact CB-CZ2 4.24Å; F808-W976 HydrophobicContact CB-CZ3 4.3Å; F808-W976 AromaticContact CD1-CH2 3.49Å; F808-W976 HydrophobicContact CD1-CH2 3.49Å; F808-W976 VanDerWaalsContact CD1-CH2 3.49Å; F808-W976 AromaticContact CD1-CZ3 3.53Å; F808-W976 HydrophobicContact CD1-CZ3 3.53Å; F808-W976 HydrophobicContact CD2-CH2 4.01Å; F808-W976 HydrophobicContact CE1-CH2 4.09Å; F808-W976 AromaticContact CE1-CZ3 3.92Å; F808-W976 HydrophobicContact CE1-CZ3 3.92Å; F808-W976 AromaticContact CG-CH2 3.43Å; F808-W976 HydrophobicContact CG-CH2 3.43Å; F808-W976 VanDerWaalsContact CG-CH2 3.43Å; F808-W976 HydrophobicContact CG-CZ2 4.48Å; F808-W976 AromaticContact CG-CZ3 3.99Å; F808-W976 HydrophobicContact CG-CZ3 3.99Å; F808-F979 AromaticContact CE1-CE1 3.67Å; F808-F979 HydrophobicContact CE1-CE1 3.67Å; F808-F979 HydrophobicContact CE1-CZ 4.02Å; F808-F979 HydrophobicContact CE2-CE1 4.44Å; F808-F979 AromaticContact CZ-CE1 3.62Å; F808-F979 HydrophobicContact CZ-CE1 3.62Å; F808-F979 AromaticContact CZ-CZ 3.8Å; F808-F979 HydrophobicContact CZ-CZ 3.8Å
809M81.7Confident81.9Confident29 Ų2981 Ų8114%0.14338%0.376CS..Hα-helixtrans-70.4-22.1177.7-69-57160.100114Y805 R806 N811 R815 F818 L882 W976Y805-M809 HydrophobicContact CD1-CG 4.32Å; Y805-M809 HydrophobicContact CD2-CE 3.68Å; Y805-M809 HydrophobicContact CD2-CG 3.98Å; Y805-M809 HydrophobicContact CE1-CG 3.95Å; Y805-M809 HydrophobicContact CE2-CE 3.26Å; Y805-M809 HydrophobicContact CE2-CG 3.62Å; Y805-M809 HydrophobicContact CE2-SD 4.14Å; Y805-M809 HydrophobicContact CG-CG 4.31Å; Y805-M809 WeakPolarHBondContact O-CG 3.37Å; Y805-M809 PolarHBondContact O-N 2.88Å; R806-M809 PolarHBondContact O-N 3.42Å; M809-N811 PolarHBondContact O-N 3.37Å; M809-R815 HydrophobicContact SD-CB 4.27Å; M809-R815 HydrophobicContact SD-CG 3.93Å; M809-F818 HydrophobicContact CE-CB 4.12Å; M809-F818 HydrophobicContact CE-CD1 3.1Å; M809-F818 HydrophobicContact CE-CE1 3.56Å; M809-F818 HydrophobicContact CE-CG 3.75Å; M809-F818 HydrophobicContact SD-CD1 4.42Å; M809-L882 HydrophobicContact CE-CD1 4.36Å; M809-W976 HydrophobicContact CE-CE3 4.23Å; M809-W976 HydrophobicContact CE-CZ3 4.17Å
810L80.1Confident82Confident140 Ų14081 Ų8173%0.73338%0.377SS*.THydrogen-bonded Turntrans-68-20173.1-73.3171000113.2R806 F808R806-L810 WeakPolarHBondContact O-CG 3.47Å; R806-L810 PolarHBondContact O-N 3.3Å; F808-L810 VanDerWaalsContact C-N 3.3Å; F808-L810 PolarHBondContact O-N 3Å
811N79.3Confident82.2Confident58 Ų5873.4 Ų73.431%0.3135%0.348SS..SBendtrans-100.4118.8178.8-178.2-56.7000109.8F808 M809 N813 K814 R815F808-N811 PolarHBondContact O-N 3.42Å; M809-N811 PolarHBondContact O-N 3.37Å; N811-N813 PolarHBondContact O-N 3.1Å; N811-N813 PolarHBondContact OD1-N 2.93Å; N811-K814 HydrophobicContact CB-CB 4.05Å; N811-K814 HydrophobicContact CB-CD 4.03Å; N811-K814 HydrophobicContact CB-CG 4.22Å; N811-K814 PolarHBondContact O-N 3.27Å; N811-K814 PolarHBondContact OD1-N 3.38Å; N811-K814 VanDerWaalsContact OD1-N 3.14Å; N811-R815 WeakPolarHBondContact O-CB 3.37Å; N811-R815 PolarHBondContact O-N 3.27Å
812P75.3Confident82.2Confident94 Ų9472.7 Ų72.761%0.6134%0.343SS*.Hα-helixtrans-64.4-39.5-172.224.1-33.1000112.9R815 Q816P812-R815 WeakPolarHBondContact O-CB 3.25Å; P812-R815 PolarHBondContact O-N 3.03Å; P812-Q816 PolarHBondContact O-N 3.4Å
813N74.1Confident82Confident127 Ų12775.8 Ų75.868%0.67935%0.353SS*.Hα-helixtrans-66.5-42.3179.5-62.2-14.2000111.3N811 Q816 E817N811-N813 PolarHBondContact O-N 3.1Å; N811-N813 PolarHBondContact OD1-N 2.93Å; N813-Q816 WeakPolarHBondContact O-CB 3.45Å; N813-Q816 PolarHBondContact O-N 2.86Å; N813-E817 PolarHBondContact O-N 3.35Å
814K79.7Confident81.8Confident93 Ų9377.4 Ų77.440%0.40436%0.355SS..Hα-helixtrans-67.2-39.7176.5-71.8-179.5-176.8171.60111.5F808 N811 Q816 E817 F818F808-K814 HydrophobicContact CD1-CB 4.03Å; F808-K814 HydrophobicContact CD2-CB 4.04Å; F808-K814 HydrophobicContact CD2-CD 3.94Å; F808-K814 HydrophobicContact CD2-CG 4.39Å; F808-K814 VanDerWaalsContact CE1-C 3.47Å; F808-K814 HydrophobicContact CE1-CB 3.77Å; F808-K814 WeakPolarHBondContact CE1-O 3.3Å; F808-K814 HydrophobicContact CE2-CB 3.74Å; F808-K814 HydrophobicContact CE2-CD 3.89Å; F808-K814 HydrophobicContact CE2-CG 3.97Å; F808-K814 HydrophobicContact CG-CB 4.16Å; F808-K814 HydrophobicContact CZ-CB 3.6Å; F808-K814 HydrophobicContact CZ-CG 4.19Å; F808-K814 WeakPolarHBondContact CZ-O 3.11Å; N811-K814 HydrophobicContact CB-CB 4.05Å; N811-K814 HydrophobicContact CB-CD 4.03Å; N811-K814 HydrophobicContact CB-CG 4.22Å; N811-K814 PolarHBondContact O-N 3.27Å; N811-K814 PolarHBondContact OD1-N 3.38Å; N811-K814 VanDerWaalsContact OD1-N 3.14Å; K814-Q816 VanDerWaalsContact C-N 3.32Å; K814-Q816 PolarHBondContact O-N 3.16Å; K814-E817 WeakPolarHBondContact O-CB 3.2Å; K814-E817 PolarHBondContact O-N 3.39Å; K814-F818 PolarHBondContact O-N 3Å
815R81.3Confident81.5Confident66 Ų6671.1 Ų71.125%0.24933%0.328CS..Hα-helixtrans-58.4-43.3173.7176.2-179.7174.2166.35.7111.6M809 N811 P812 E817 F818 E819 Y883M809-R815 HydrophobicContact SD-CB 4.27Å; M809-R815 HydrophobicContact SD-CG 3.93Å; N811-R815 WeakPolarHBondContact O-CB 3.37Å; N811-R815 PolarHBondContact O-N 3.27Å; P812-R815 WeakPolarHBondContact O-CB 3.25Å; P812-R815 PolarHBondContact O-N 3.03Å; R815-E817 VanDerWaalsContact C-N 3.3Å; R815-E817 PolarHBondContact O-N 3.49Å; R815-F818 WeakPolarHBondContact O-CB 3.35Å; R815-F818 PolarHBondContact O-N 3.46Å; R815-E819 HydrophobicContact CG-CG 4.45Å; R815-E819 WeakPolarHBondContact CG-OE1 3.11Å; R815-E819 IonicContact CZ-OE1 3.1Å; R815-E819 IonicContact NE-OE1 3.63Å; R815-E819 PolarHBondContact NE-OE1 3.02Å; R815-E819 IonicContact NH2-OE1 2.7Å; R815-E819 PolarHBondContact O-N 2.86Å; R815-Y883 VanDerWaalsContact NH2-CE1 3.31Å
816Q81.8Confident80.6Confident89 Ų8973.3 Ų73.342%0.41634%0.339SS..Hα-helixtrans-57-42.5176.4-170.56342.100111.9P812 N813 K814 F818 E819 D820P812-Q816 PolarHBondContact O-N 3.4Å; N813-Q816 WeakPolarHBondContact O-CB 3.45Å; N813-Q816 PolarHBondContact O-N 2.86Å; K814-Q816 VanDerWaalsContact C-N 3.32Å; K814-Q816 PolarHBondContact O-N 3.16Å; Q816-F818 PolarHBondContact O-N 3.14Å; Q816-E819 PolarHBondContact O-N 3.4Å; Q816-E819 VanDerWaalsContact O-N 3.11Å; Q816-D820 PolarHBondContact NE2-OD1 3.08Å; Q816-D820 VanDerWaalsContact O-CG 3.22Å; Q816-D820 PolarHBondContact O-N 3.14Å
817E83.9Confident79.6Confident85 Ų8573.3 Ų73.340%0.39735%0.345SS..Hα-helixtrans-58.6-35.7175.7-63.7177.7-166.800113.1N813 K814 R815 Y821 F979 K983N813-E817 PolarHBondContact O-N 3.35Å; K814-E817 WeakPolarHBondContact O-CB 3.2Å; K814-E817 PolarHBondContact O-N 3.39Å; R815-E817 VanDerWaalsContact C-N 3.3Å; R815-E817 PolarHBondContact O-N 3.49Å; E817-Y821 WeakPolarHBondContact O-CB 3.12Å; E817-Y821 PolarHBondContact O-N 2.85Å; E817-Y821 VanDerWaalsContact O-N 3.16Å; E817-F979 HydrophobicContact CB-CZ 4.26Å; E817-K983 IonicContact OE2-NZ 3.78Å; E817-K983 PolarHBondContact OE2-NZ 3.31Å
818F85.8Confident78.9Confident2 Ų265.4 Ų65.41%0.00932%0.318CS..Hα-helixtrans-73.5-39.7176.4-178.4-118.9000111.5F808 M809 K814 R815 Q816 Y821 L822 L882 F975 W976 F979F808-F818 HydrophobicContact CE1-CB 4.26Å; M809-F818 HydrophobicContact CE-CB 4.12Å; M809-F818 HydrophobicContact CE-CD1 3.1Å; M809-F818 HydrophobicContact CE-CE1 3.56Å; M809-F818 HydrophobicContact CE-CG 3.75Å; M809-F818 HydrophobicContact SD-CD1 4.42Å; K814-F818 PolarHBondContact O-N 3Å; R815-F818 WeakPolarHBondContact O-CB 3.35Å; R815-F818 PolarHBondContact O-N 3.46Å; Q816-F818 PolarHBondContact O-N 3.14Å; F818-Y821 HydrophobicContact CD2-CD1 4.32Å; F818-Y821 HydrophobicContact CE2-CD1 4.32Å; F818-Y821 WeakPolarHBondContact O-CB 3.34Å; F818-Y821 PolarHBondContact O-N 2.94Å; F818-L822 HydrophobicContact CD1-CD1 4.1Å; F818-L822 HydrophobicContact CE1-CD1 3.78Å; F818-L822 HydrophobicContact CE1-CG 4.32Å; F818-L822 HydrophobicContact CE2-CD2 4.34Å; F818-L822 HydrophobicContact CE2-CG 4.41Å; F818-L822 HydrophobicContact CZ-CD1 4.13Å; F818-L822 HydrophobicContact CZ-CD2 4.16Å; F818-L822 HydrophobicContact CZ-CG 4.25Å; F818-L822 WeakPolarHBondContact O-CG 3.33Å; F818-L822 PolarHBondContact O-N 2.6Å; F818-L882 HydrophobicContact CD1-CD2 3.95Å; F818-L882 HydrophobicContact CE1-CD1 4.11Å; F818-L882 HydrophobicContact CE1-CD2 4.08Å; F818-F975 HydrophobicContact CZ-CB 4.28Å; F818-W976 HydrophobicContact CD2-CE3 4Å; F818-W976 HydrophobicContact CD2-CZ3 4.34Å; F818-W976 HydrophobicContact CE2-CB 4.47Å; F818-W976 AromaticContact CE2-CE3 3.94Å; F818-W976 HydrophobicContact CE2-CE3 3.94Å; F818-W976 HydrophobicContact CG-CE3 4.37Å; F818-W976 HydrophobicContact CG-CZ3 4.47Å; F818-W976 HydrophobicContact CZ-CB 4.27Å; F818-W976 HydrophobicContact CZ-CE3 4.22Å; F818-F979 HydrophobicContact CB-CE1 4.36Å; F818-F979 HydrophobicContact CB-CZ 4.31Å; F818-F979 HydrophobicContact CD2-CB 3.61Å; F818-F979 AromaticContact CD2-CD1 3.67Å; F818-F979 HydrophobicContact CD2-CD1 3.67Å; F818-F979 AromaticContact CD2-CD2 3.93Å; F818-F979 HydrophobicContact CD2-CD2 3.93Å; F818-F979 HydrophobicContact CD2-CE1 4.26Å; F818-F979 HydrophobicContact CD2-CE2 4.47Å; F818-F979 AromaticContact CD2-CG 3.47Å; F818-F979 HydrophobicContact CD2-CG 3.47Å; F818-F979 VanDerWaalsContact CD2-CG 3.47Å; F818-F979 HydrophobicContact CE2-CB 3.61Å; F818-F979 HydrophobicContact CE2-CD1 4.33Å; F818-F979 HydrophobicContact CE2-CG 4.01Å
819E83.3Confident77.7Confident10 Ų1068.7 Ų68.75%0.04735%0.345CS..Hα-helixtrans-63.3-41.9175.6-68.1-176.6-167.200111.6R815 Q816 Y821 L822 R823 L882 Y883R815-E819 HydrophobicContact CG-CG 4.45Å; R815-E819 WeakPolarHBondContact CG-OE1 3.11Å; R815-E819 IonicContact CZ-OE1 3.1Å; R815-E819 IonicContact NE-OE1 3.63Å; R815-E819 PolarHBondContact NE-OE1 3.02Å; R815-E819 IonicContact NH2-OE1 2.7Å; R815-E819 PolarHBondContact O-N 2.86Å; Q816-E819 PolarHBondContact O-N 3.4Å; Q816-E819 VanDerWaalsContact O-N 3.11Å; E819-Y821 VanDerWaalsContact C-N 3.34Å; E819-Y821 PolarHBondContact O-N 3.19Å; E819-L822 WeakPolarHBondContact O-CB 3.33Å; E819-L822 PolarHBondContact O-N 3.22Å; E819-R823 WeakPolarHBondContact O-CG 3.38Å; E819-R823 PolarHBondContact O-N 3Å; E819-L882 HydrophobicContact CG-CD2 3.98Å; E819-Y883 WeakPolarHBondContact OE1-CE1 3.19Å; E819-Y883 PolarHBondContact OE2-OH 3.23Å
820D82.8Confident76.6Confident79 Ų7972.9 Ų72.942%0.42236%0.362SS..Hα-helixtrans-64-39.5175.8-65.5-19000111.7Q816 R823 Q824Q816-D820 PolarHBondContact NE2-OD1 3.08Å; Q816-D820 VanDerWaalsContact O-CG 3.22Å; Q816-D820 PolarHBondContact O-N 3.14Å; D820-R823 WeakPolarHBondContact O-CB 3.4Å; D820-R823 PolarHBondContact O-N 2.95Å; D820-Q824 PolarHBondContact O-N 3.15Å
821Y86.1Confident75.8Confident8 Ų870.3 Ų70.33%0.03135%0.346CS..Hα-helixtrans-62.1-41.2172.3169.1-93.5000112.3E817 F818 E819 R823 Q824 E825 R978 F979 W982E817-Y821 WeakPolarHBondContact O-CB 3.12Å; E817-Y821 PolarHBondContact O-N 2.85Å; E817-Y821 VanDerWaalsContact O-N 3.16Å; F818-Y821 HydrophobicContact CD2-CD1 4.32Å; F818-Y821 HydrophobicContact CE2-CD1 4.32Å; F818-Y821 WeakPolarHBondContact O-CB 3.34Å; F818-Y821 PolarHBondContact O-N 2.94Å; E819-Y821 VanDerWaalsContact C-N 3.34Å; E819-Y821 PolarHBondContact O-N 3.19Å; Y821-R823 VanDerWaalsContact C-N 3.35Å; Y821-Q824 WeakPolarHBondContact O-CB 3.38Å; Y821-Q824 PolarHBondContact O-N 3.32Å; Y821-E825 HydrophobicContact CD1-CG 4.49Å; Y821-E825 HydrophobicContact CE1-CG 3.87Å; Y821-E825 HydrophobicContact CE2-CG 4.16Å; Y821-E825 PolarHBondContact O-N 2.97Å; Y821-E825 PolarHBondContact OH-OE1 3.36Å; Y821-E825 VanDerWaalsContact OH-OE1 3.07Å; Y821-R978 WeakPolarHBondContact OH-CB 3.37Å; Y821-F979 HydrophobicContact CD1-CB 3.71Å; Y821-F979 AromaticContact CD1-CD2 3.86Å; Y821-F979 HydrophobicContact CD1-CD2 3.86Å; Y821-F979 HydrophobicContact CD1-CG 4.23Å; Y821-F979 HydrophobicContact CD2-CD2 4Å; Y821-F979 HydrophobicContact CE1-CB 3.73Å; Y821-F979 HydrophobicContact CG-CB 4.21Å; Y821-F979 AromaticContact CG-CD2 3.54Å; Y821-F979 HydrophobicContact CG-CD2 3.54Å; Y821-F979 HydrophobicContact CG-CE2 4.4Å; Y821-F979 HydrophobicContact CG-CG 4.34Å; Y821-W982 HydrophobicContact CD2-CB 4.31Å; Y821-W982 AromaticContact CD2-CD2 3.74Å; Y821-W982 HydrophobicContact CD2-CD2 3.74Å; Y821-W982 AromaticContact CD2-CE3 3.86Å; Y821-W982 HydrophobicContact CD2-CE3 3.86Å; Y821-W982 AromaticContact CD2-CG 3.94Å; Y821-W982 HydrophobicContact CD2-CG 3.94Å; Y821-W982 HydrophobicContact CD2-CZ3 4.39Å; Y821-W982 HydrophobicContact CE2-CB 3.68Å; Y821-W982 AromaticContact CE2-CD2 3.97Å; Y821-W982 HydrophobicContact CE2-CD2 3.97Å; Y821-W982 HydrophobicContact CE2-CE3 4.4Å; Y821-W982 AromaticContact CE2-CG 3.64Å; Y821-W982 HydrophobicContact CE2-CG 3.64Å
822L83.3Confident75.6Confident5 Ų568.5 Ų68.53%0.02634%0.337CS..Hα-helixtrans-63.8-40.3175.4-68.9177.3000111.6F818 E819 Q824 E825 M826 V878 I879 L882 F975F818-L822 HydrophobicContact CD1-CD1 4.1Å; F818-L822 HydrophobicContact CE1-CD1 3.78Å; F818-L822 HydrophobicContact CE1-CG 4.32Å; F818-L822 HydrophobicContact CE2-CD2 4.34Å; F818-L822 HydrophobicContact CE2-CG 4.41Å; F818-L822 HydrophobicContact CZ-CD1 4.13Å; F818-L822 HydrophobicContact CZ-CD2 4.16Å; F818-L822 HydrophobicContact CZ-CG 4.25Å; F818-L822 WeakPolarHBondContact O-CG 3.33Å; F818-L822 PolarHBondContact O-N 2.6Å; E819-L822 WeakPolarHBondContact O-CB 3.33Å; E819-L822 PolarHBondContact O-N 3.22Å; L822-Q824 VanDerWaalsContact C-N 3.31Å; L822-Q824 PolarHBondContact O-N 2.77Å; L822-E825 PolarHBondContact O-N 3.13Å; L822-M826 PolarHBondContact O-N 2.89Å; L822-M826 VanDerWaalsContact O-N 3.13Å; L822-V878 HydrophobicContact CD1-CG1 4.22Å; L822-V878 HydrophobicContact CD2-CG1 3.73Å; L822-I879 HydrophobicContact CB-CG1 4.06Å; L822-L882 HydrophobicContact CD1-CD2 4.13Å; L822-F975 HydrophobicContact CD2-CB 3.56Å; L822-F975 HydrophobicContact CD2-CD1 3.87Å; L822-F975 HydrophobicContact CD2-CD2 4.42Å; L822-F975 HydrophobicContact CD2-CG 3.71Å
823R79.2Confident75.2Confident121 Ų12167.8 Ų67.846%0.45732%0.324SS..Hα-helixtrans-61.8-38.1173.1-68.1175.6-168.6-79.9-1.4111.8E819 D820 Y821 M826 I879E819-R823 WeakPolarHBondContact O-CG 3.38Å; E819-R823 PolarHBondContact O-N 3Å; D820-R823 WeakPolarHBondContact O-CB 3.4Å; D820-R823 PolarHBondContact O-N 2.95Å; Y821-R823 VanDerWaalsContact C-N 3.35Å; R823-M826 WeakPolarHBondContact O-CB 3.45Å; R823-M826 PolarHBondContact O-N 3.46Å; R823-I879 HydrophobicContact CG-CD1 3.54Å
824Q78.9Confident74.4Confident90 Ų9066.2 Ų66.242%0.42132%0.319SS..Hα-helixtrans-67.3-38.7174.8-168.3177.52200112.1D820 Y821 L822 M826 Q827D820-Q824 PolarHBondContact O-N 3.15Å; Y821-Q824 WeakPolarHBondContact O-CB 3.38Å; Y821-Q824 PolarHBondContact O-N 3.32Å; L822-Q824 VanDerWaalsContact C-N 3.31Å; L822-Q824 PolarHBondContact O-N 2.77Å; Q824-M826 VanDerWaalsContact C-N 3.26Å; Q824-M826 PolarHBondContact O-N 3.3Å; Q824-Q827 PolarHBondContact O-N 3.35Å; Q824-Q827 VanDerWaalsContact O-N 3.11Å
825E77.2Confident72.8Confident14 Ų1466.1 Ų66.17%0.06533%0.327CS..Hα-helixtrans-67.6-23.3176.2-81.6-72.9-172.600113.2Y821 L822 Q827 N828 N832 R865 F975 R978Y821-E825 HydrophobicContact CD1-CG 4.49Å; Y821-E825 HydrophobicContact CE1-CG 3.87Å; Y821-E825 HydrophobicContact CE2-CG 4.16Å; Y821-E825 PolarHBondContact O-N 2.97Å; Y821-E825 PolarHBondContact OH-OE1 3.36Å; Y821-E825 VanDerWaalsContact OH-OE1 3.07Å; L822-E825 PolarHBondContact O-N 3.13Å; E825-Q827 VanDerWaalsContact C-N 3.28Å; E825-Q827 PolarHBondContact O-N 3.44Å; E825-N828 WeakPolarHBondContact O-CB 3.39Å; E825-N828 PolarHBondContact O-N 2.83Å; E825-N828 PolarHBondContact OE2-ND2 3.14Å; E825-N832 PolarHBondContact O-ND2 3.31Å; E825-R865 IonicContact OE1-NH1 3.68Å; E825-R865 IonicContact OE2-CZ 2.85Å; E825-R865 IonicContact OE2-NH1 3.94Å; E825-R865 PolarHBondContact OE2-NH1 3.29Å; E825-R865 IonicContact OE2-NH2 3.03Å; E825-R865 PolarHBondContact OE2-NH2 2.81Å; E825-F975 HydrophobicContact CB-CE1 4.3Å; E825-R978 IonicContact OE1-CZ 3.93Å; E825-R978 IonicContact OE1-NE 3.69Å; E825-R978 PolarHBondContact OE1-NE 3.04Å; E825-R978 IonicContact OE1-NH2 3.71Å; E825-R978 PolarHBondContact OE1-NH2 2.89Å; E825-R978 VanDerWaalsContact OE1-NH2 3.12Å
826M68.7Low70.6Confident58 Ų5866.6 Ų66.629%0.28634%0.34SS..Hα-helixtrans-62.5-35.4169.3-66.8176.361.100112L822 R823 Q824 N828 N832 V875 N876 I879L822-M826 PolarHBondContact O-N 2.89Å; L822-M826 VanDerWaalsContact O-N 3.13Å; R823-M826 WeakPolarHBondContact O-CB 3.45Å; R823-M826 PolarHBondContact O-N 3.46Å; Q824-M826 VanDerWaalsContact C-N 3.26Å; Q824-M826 PolarHBondContact O-N 3.3Å; M826-N828 VanDerWaalsContact C-N 3.33Å; M826-N828 PolarHBondContact O-N 3.06Å; M826-N832 PolarHBondContact O-ND2 3.02Å; M826-V875 HydrophobicContact CB-CG1 4.49Å; M826-V875 HydrophobicContact CG-CG1 4.01Å; M826-N876 HydrophobicContact CE-CB 4.29Å; M826-I879 HydrophobicContact SD-CD1 3.89Å
827Q62.4Low68.5Low141 Ų14171.1 Ų71.166%0.65936%0.361SS*.THydrogen-bonded Turntrans-86.71.4-178.1-61179.12.900113.5Q824 E825 S829Q824-Q827 PolarHBondContact O-N 3.35Å; Q824-Q827 VanDerWaalsContact O-N 3.11Å; E825-Q827 VanDerWaalsContact C-N 3.28Å; E825-Q827 PolarHBondContact O-N 3.44Å; Q827-S829 PolarHBondContact O-N 3.35Å
828N68.8Low66Low35 Ų3573.8 Ų73.819%0.18738%0.378CS..  trans-78.684.1-176.3-172.2-2.1000112.4E825 M826 K830 E831 N832 R865E825-N828 WeakPolarHBondContact O-CB 3.39Å; E825-N828 PolarHBondContact O-N 2.83Å; E825-N828 PolarHBondContact OE2-ND2 3.14Å; M826-N828 VanDerWaalsContact C-N 3.33Å; M826-N828 PolarHBondContact O-N 3.06Å; N828-K830 PolarHBondContact O-N 2.83Å; N828-E831 PolarHBondContact O-N 3.16Å; N828-N832 VanDerWaalsContact O-CB 3.28Å; N828-N832 WeakPolarHBondContact O-CB 2.9Å; N828-N832 PolarHBondContact O-N 3.08Å; N828-N832 PolarHBondContact O-ND2 3.11Å; N828-R865 PolarHBondContact ND2-NH2 3.38Å
829S57.8Low63.3Low99 Ų9980.6 Ų80.669%0.69242%0.42SS*.THydrogen-bonded Turntrans-64-4.5-177.853.90000116.5Q827Q827-S829 PolarHBondContact O-N 3.35Å
830K59.7Low60.8Low116 Ų11686 Ų8650%0.50446%0.458SS..THydrogen-bonded Turntrans-94.3-24.8-179.5-90.1179.1-71.1105.70115.2N828 R999N828-K830 PolarHBondContact O-N 2.83Å; K830-R999 VanDerWaalsContact CE-CD 3.4Å
831E63Low58.2Low86 Ų8685.6 Ų85.640%0.40247%0.474SS..THydrogen-bonded Turntrans-113-8.9178.4-70-177.6-143.300112.2N828 R865 R978N828-E831 PolarHBondContact O-N 3.16Å; E831-R865 IonicContact OE2-CZ 3.04Å; E831-R865 IonicContact OE2-NH1 2.7Å; E831-R978 VanDerWaalsContact CD-NH2 3.33Å; E831-R978 IonicContact OE1-CZ 2.83Å; E831-R978 IonicContact OE1-NH1 2.91Å; E831-R978 IonicContact OE1-NH2 3.7Å; E831-R978 PolarHBondContact OE1-NH2 3.2Å; E831-R978 IonicContact OE2-CZ 3.68Å; E831-R978 IonicContact OE2-NH1 3.02Å; E831-R978 PolarHBondContact OE2-NH1 3.38Å; E831-R978 IonicContact OE2-NH2 3.22Å; E831-R978 PolarHBondContact OE2-NH2 2.93Å
832N74.5Confident55.4Low20 Ų2097.2 Ų97.211%0.10752%0.517CS..  trans-104.3138.7-178.2-67.4-11000110.7E825 M826 N828 V863 K864 R865E825-N832 PolarHBondContact O-ND2 3.31Å; M826-N832 PolarHBondContact O-ND2 3.02Å; N828-N832 VanDerWaalsContact O-CB 3.28Å; N828-N832 WeakPolarHBondContact O-CB 2.9Å; N828-N832 PolarHBondContact O-N 3.08Å; N828-N832 PolarHBondContact O-ND2 3.11Å; N832-V863 HydrophobicContact CB-CG1 3.36Å; N832-K864 WeakPolarHBondContact CA-O 3.3Å; N832-R865 PolarHBondContact OD1-NE 3.18Å; N832-R865 PolarHBondContact OD1-NH2 3.4Å
833F67.7Low53Low80 Ų80102.7 Ų102.735%0.35156%0.556SS.*EExtended strand (participates in β ladder)trans-116.3140.6173.350.9-89.5000110.3K864 R866 I872F833-K864 WeakPolarHBondContact CD1-O 3.01Å; F833-K864 HydrophobicContact CD2-CB 3.89Å; F833-K864 HydrophobicContact CE2-CB 3.46Å; F833-K864 VanDerWaalsContact CE2-CB 3.46Å; F833-K864 HydrophobicContact CE2-CD 4.48Å; F833-K864 HydrophobicContact CZ-CB 3.93Å; F833-K864 PolarHBondContact N-O 3.14Å; F833-K864 PolarHBondContact O-N 3.46Å; F833-R866 HydrophobicContact CE1-CB 4.26Å; F833-I872 HydrophobicContact CE2-CG2 4.12Å; F833-I872 HydrophobicContact CZ-CD1 4.48Å; F833-I872 HydrophobicContact CZ-CG1 4.33Å; F833-I872 HydrophobicContact CZ-CG2 3.84Å
834T56.1Low50.5Low93 Ų93101.3 Ų101.357%0.57157%0.571SS**EExtended strand (participates in β ladder)trans-85.6146.1169.148.30000108.9S836T834-S836 PolarHBondContact O-N 3.29Å
835T46.9Very low48.2Very low92 Ų92102.9 Ų102.956%0.56459%0.588SS**  trans-75.293174.5-37.40000107.7
836S35.6Very low46.2Very low75 Ų75108.3 Ų108.352%0.52463%0.625SS.*  trans-89.4130165.265.80000108.9T834 N838T834-S836 PolarHBondContact O-N 3.29Å; S836-N838 PolarHBondContact O-N 3.26Å
837H37.1Very low44.3Very low184 Ų184111.2 Ų111.285%0.85265%0.651SS**  trans-57.7103.7167-82.2-86.4000109.3
838N30.3Very low42.5Very low141 Ų141110.3 Ų110.375%0.75466%0.655SS**  trans-119.489.1167.3-79.8-7.1000108.7S836S836-N838 PolarHBondContact O-N 3.26Å
839T30.5Very low40.6Very low145 Ų145115.3 Ų115.389%0.8968%0.682SS**  trans-69.2117.9149.114.10000108.5
840S30.1Very low39.2Very low123 Ų123117.6 Ų117.686%0.8669%0.691SS**  trans-162.2116.5158.4-176.90000107
841G28Very low37.8Very low72 Ų72123.7 Ų123.774%0.74271%0.711SS**  cis-174.2142.3-6.200000108.9
842R28.5Very low36.1Very low252 Ų252125.1 Ų125.195%0.95173%0.73SS**  trans-171.3135.5142.9-122.4176.8177.8176.5-1.3109.5
843S31.3Very low34Very low119 Ų119128.5 Ų128.583%0.83276%0.761SS**  trans-61.7133.6-173.448.70000115.3
844A26.3Very low32.2Very low93 Ų93132.4 Ų132.477%0.76979%0.786SS**  trans-152144.5149.900000110
845P32.1Very low31Very low122 Ų122137.4 Ų137.479%0.79280%0.803SS**  trans-77166.2-173.833.2-33.9000112.6
846P35.8Very low30.3Very low128 Ų128141.9 Ų141.983%0.83182%0.817SS**  trans-84.4138.7-156.133.6-32000112.4
847S26.7Very low30.2Very low119 Ų119144.3 Ų144.383%0.83282%0.824SS**  trans-110.4126.1162.263.70000110.6
848T26.7Very low30Very low122 Ų122139.2 Ų139.275%0.74882%0.821SS**  trans-54.6140-177.5-2.20000115.4
849N26.9Very low30.4Very low141 Ų141139.8 Ų139.875%0.75483%0.825SS**  trans54.7104.6142.9-62.5-22000120.5
850V28.8Very low31.3Very low146 Ų146137.2 Ų137.289%0.88581%0.809SS**  -141.5120.2124.9179.30000108.5
851R30.6Very low32.6Very low245 Ų245136.9 Ų136.993%0.92580%0.802SS**  trans-72.8127172.2-73.8172.6172.2169.3-4109.4
852S27.3Very low34.5Very low115 Ų115135.7 Ų135.780%0.80478%0.778SS**  trans-133.4108.7149.756.70000107.7D854S852-D854 PolarHBondContact O-N 3.02Å
853A30.9Very low36.6Very low91 Ų91125 Ų12575%0.75274%0.741SS**  trans-64.8119.7170.800000108.4
854D30.6Very low38.8Very low163 Ų163122.3 Ų122.387%0.87271%0.714SS**  trans169.969.6155-87.6-16.4000108.3S852S852-D854 PolarHBondContact O-N 3.02Å
855Q30.9Very low41.2Very low197 Ų197118 Ų11892%0.92168%0.678SS**  trans-147.455.1170.6-134.5163.138.400111.5
856E31.4Very low43.2Very low187 Ų187119.3 Ų119.387%0.87467%0.667SS**  trans-121.290160.7-75.5-171.1167.600108.3
857N32.5Very low44.8Very low125 Ų125114 Ų11467%0.66863%0.633SS**SBendtrans-149.7123.7160.6-95.2-42.1000107.7D859N857-D859 PolarHBondContact O-N 3.46Å
858G34.6Very low46.2Very low77 Ų77117.6 Ų117.679%0.79463%0.633SS**  trans-53.4112.4-175.600000112.2T860G858-T860 PolarHBondContact O-N 3.03Å
859D37.5Very low47.6Very low154 Ų154115.1 Ų115.182%0.82463%0.632SS**  trans-63.9104.7179.8-90.2-28.7000110.4N857 T861N857-D859 PolarHBondContact O-N 3.46Å; D859-T861 PolarHBondContact O-N 3.42Å
860T50.6Low49.1Very low90 Ų90115.5 Ų115.555%0.55263%0.629SS**  trans-63.3119.1161.523.70000107.5G858 L862G858-T860 PolarHBondContact O-N 3.03Å; T860-L862 WeakPolarHBondContact O-CG 3.48Å; T860-L862 PolarHBondContact O-N 3.04Å
861T57Low51.2Low117 Ų117113 Ų11372%0.71860%0.604SS**  trans-60.598.7178.949.40000110.5D859 V863D859-T861 PolarHBondContact O-N 3.42Å; T861-V863 PolarHBondContact O-N 3.18Å
862L68.2Low53.3Low46 Ų46105.7 Ų105.724%0.24158%0.582CS.*  trans-77.8121.4179.8-64.9-179.6000110.1T860 T874 N876 F877T860-L862 WeakPolarHBondContact O-CG 3.48Å; T860-L862 PolarHBondContact O-N 3.04Å; L862-T874 HydrophobicContact CB-CG2 4.02Å; L862-T874 HydrophobicContact CD1-CG2 4.33Å; L862-T874 HydrophobicContact CD2-CG2 4.05Å; L862-T874 HydrophobicContact CG-CG2 4.36Å; L862-N876 HydrophobicContact CD2-CB 4.36Å; L862-F877 HydrophobicContact CD1-CZ 4.08Å; L862-F877 HydrophobicContact CD2-CE1 4.08Å; L862-F877 HydrophobicContact CD2-CZ 4Å
863V72.6Confident55.9Low28 Ų28100.3 Ų100.317%0.1754%0.544CS..EExtended strand (participates in β ladder)trans-85.9120.2178.2-178.80000108.5N832 T861 V875 N876N832-V863 HydrophobicContact CB-CG1 3.36Å; T861-V863 PolarHBondContact O-N 3.18Å; V863-V875 PolarHBondContact O-N 3.01Å; V863-N876 WeakPolarHBondContact CB-OD1 3.46Å; V863-N876 PolarHBondContact N-OD1 2.87Å; V863-N876 VanDerWaalsContact N-OD1 3.12Å
864K76.5Confident58.2Low62 Ų6296.7 Ų96.727%0.2751%0.513SS..EExtended strand (participates in β ladder)trans-107.5148.8-177.6-70.8177.7-178.91700111.2N832 F833 I872 I873N832-K864 WeakPolarHBondContact CA-O 3.3Å; F833-K864 WeakPolarHBondContact CD1-O 3.01Å; F833-K864 HydrophobicContact CD2-CB 3.89Å; F833-K864 HydrophobicContact CE2-CB 3.46Å; F833-K864 VanDerWaalsContact CE2-CB 3.46Å; F833-K864 HydrophobicContact CE2-CD 4.48Å; F833-K864 HydrophobicContact CZ-CB 3.93Å; F833-K864 PolarHBondContact N-O 3.14Å; F833-K864 PolarHBondContact O-N 3.46Å; K864-I872 HydrophobicContact CB-CG2 3.82Å; K864-I872 HydrophobicContact CD-CG2 3.9Å; K864-I872 HydrophobicContact CG-CG2 4.13Å; K864-I873 CarbonylContact C-O 3.39Å; K864-I873 VanDerWaalsContact CA-O 3.23Å; K864-I873 WeakPolarHBondContact CA-O 3.42Å
865R76.3Confident60.4Low2 Ų289 Ų891%0.00847%0.472CS..EExtended strand (participates in β ladder)trans-134.9143.1175.5178.5175.7-74.7-179.60.9110E825 N828 E831 N832 V867 I872 I873 V875E825-R865 IonicContact OE1-NH1 3.68Å; E825-R865 IonicContact OE2-CZ 2.85Å; E825-R865 IonicContact OE2-NH1 3.94Å; E825-R865 PolarHBondContact OE2-NH1 3.29Å; E825-R865 IonicContact OE2-NH2 3.03Å; E825-R865 PolarHBondContact OE2-NH2 2.81Å; N828-R865 PolarHBondContact ND2-NH2 3.38Å; E831-R865 IonicContact OE2-CZ 3.04Å; E831-R865 IonicContact OE2-NH1 2.7Å; N832-R865 PolarHBondContact OD1-NE 3.18Å; N832-R865 PolarHBondContact OD1-NH2 3.4Å; R865-V867 HydrophobicContact CG-CG2 4.5Å; R865-I872 WeakPolarHBondContact O-CA 3.24Å; R865-I873 HydrophobicContact CB-CG1 4.19Å; R865-I873 PolarHBondContact N-O 3.19Å; R865-I873 WeakPolarHBondContact O-CG1 3.09Å; R865-I873 PolarHBondContact O-N 3.21Å; R865-V875 HydrophobicContact CB-CG2 3.46Å; R865-V875 VanDerWaalsContact CB-CG2 3.46Å
866R74.4Confident62.6Low151 Ų15181.7 Ų81.757%0.5744%0.439SS*.EExtended strand (participates in β ladder)trans-88.4121.1171.9-166.1-179.1-73.7-167-1109F833F833-R866 HydrophobicContact CE1-CB 4.26Å
867V70.1Confident65Low17 Ų1773.8 Ų73.810%0.10340%0.402CS..EExtended strand (participates in β ladder)trans-105.1165176.8176.50000109.6R865 G869 H870 R871 I873 Y974R865-V867 HydrophobicContact CG-CG2 4.5Å; V867-G869 PolarHBondContact O-N 3.42Å; V867-H870 PolarHBondContact O-N 2.71Å; V867-R871 PolarHBondContact N-O 2.56Å; V867-I873 HydrophobicContact CG2-CD1 3.43Å; V867-I873 VanDerWaalsContact CG2-CD1 3.43Å; V867-I873 HydrophobicContact CG2-CG1 3.69Å; V867-I873 HydrophobicContact CG2-CG2 4.41Å; V867-Y974 HydrophobicContact CG1-CD1 3.92Å; V867-Y974 HydrophobicContact CG1-CD2 3.74Å; V867-Y974 HydrophobicContact CG1-CE1 4.28Å; V867-Y974 HydrophobicContact CG1-CE2 4.12Å; V867-Y974 HydrophobicContact CG1-CG 3.63Å; V867-Y974 HydrophobicContact CG2-CD1 3.89Å; V867-Y974 HydrophobicContact CG2-CE1 3.77Å; V867-Y974 HydrophobicContact CG2-CG 4.46Å
868F55.8Low67.4Low194 Ų19468 Ų6885%0.85137%0.371SS*.THydrogen-bonded Turntrans-44.8131.5178.7-98.3-86.8000111.9Y974F868-Y974 HydrophobicContact CD2-CE2 4.36Å
869G56.4Low69.7Low70 Ų7065 Ų6572%0.72234%0.336SS*.THydrogen-bonded Turntrans92.415.3-173.300000115.2V867 R871V867-G869 PolarHBondContact O-N 3.42Å; G869-R871 PolarHBondContact O-N 3.11Å
870H58.5Low71.8Confident149 Ų14959.9 Ų59.969%0.6931%0.309SS*.THydrogen-bonded Turntrans63.78.6179.9-65.832.7000114.7V867 I872V867-H870 PolarHBondContact O-N 2.71Å; H870-I872 PolarHBondContact O-N 2.85Å
871R71.4Confident73.4Confident93 Ų9355.6 Ų55.635%0.35128%0.283SS..EExtended strand (participates in β ladder)trans-72125.7176.6-169.5170.8177.7-157.3-9.1110.1V867 G869 N938 S967V867-R871 PolarHBondContact N-O 2.56Å; G869-R871 PolarHBondContact O-N 3.11Å; R871-N938 PolarHBondContact NH2-O 3.45Å; R871-S967 PolarHBondContact NH1-O 3.18Å; R871-S967 PolarHBondContact NH2-O 3.25Å
872I76.1Confident74.7Confident92 Ų9250.1 Ų50.147%0.47225%0.249SC..EExtended strand (participates in β ladder)trans-87.6121.9174-58.7173.3000107.4F833 K864 R865 H870F833-I872 HydrophobicContact CE2-CG2 4.12Å; F833-I872 HydrophobicContact CZ-CD1 4.48Å; F833-I872 HydrophobicContact CZ-CG1 4.33Å; F833-I872 HydrophobicContact CZ-CG2 3.84Å; K864-I872 HydrophobicContact CB-CG2 3.82Å; K864-I872 HydrophobicContact CD-CG2 3.9Å; K864-I872 HydrophobicContact CG-CG2 4.13Å; R865-I872 WeakPolarHBondContact O-CA 3.24Å; H870-I872 PolarHBondContact O-N 2.85Å
873I80.9Confident75.4Confident2 Ų250.3 Ų50.31%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-109.6150.8174.762.6162.5000109.7K864 R865 V867 V878 V971 F975K864-I873 CarbonylContact C-O 3.39Å; K864-I873 VanDerWaalsContact CA-O 3.23Å; K864-I873 WeakPolarHBondContact CA-O 3.42Å; R865-I873 HydrophobicContact CB-CG1 4.19Å; R865-I873 PolarHBondContact N-O 3.19Å; R865-I873 WeakPolarHBondContact O-CG1 3.09Å; R865-I873 PolarHBondContact O-N 3.21Å; V867-I873 HydrophobicContact CG2-CD1 3.43Å; V867-I873 VanDerWaalsContact CG2-CD1 3.43Å; V867-I873 HydrophobicContact CG2-CG1 3.69Å; V867-I873 HydrophobicContact CG2-CG2 4.41Å; I873-V878 HydrophobicContact CD1-CG2 4.2Å; I873-V971 HydrophobicContact CD1-CG1 3.89Å; I873-V971 HydrophobicContact CG2-CG1 4.44Å; I873-V971 HydrophobicContact CG2-CG2 3.94Å; I873-F975 HydrophobicContact CD1-CE2 3.51Å; I873-F975 HydrophobicContact CD1-CZ 3.77Å
874T80.6Confident76Confident15 Ų1549 Ų499%0.09224%0.239CC..EExtended strand (participates in β ladder)trans-89.3113.7169-59.20000108.4L862 N876 F877 N938L862-T874 HydrophobicContact CB-CG2 4.02Å; L862-T874 HydrophobicContact CD1-CG2 4.33Å; L862-T874 HydrophobicContact CD2-CG2 4.05Å; L862-T874 HydrophobicContact CG-CG2 4.36Å; T874-N876 HydrophobicContact CG2-CB 4.08Å; T874-N876 PolarHBondContact O-N 2.7Å; T874-F877 HydrophobicContact CG2-CD1 4.25Å; T874-F877 HydrophobicContact CG2-CD2 3.65Å; T874-F877 HydrophobicContact CG2-CE1 4.31Å; T874-F877 HydrophobicContact CG2-CE2 3.73Å; T874-F877 HydrophobicContact CG2-CG 3.91Å; T874-F877 HydrophobicContact CG2-CZ 4.05Å; T874-F877 PolarHBondContact O-N 3.41Å; T874-F877 VanDerWaalsContact O-N 3.14Å; T874-N938 PolarHBondContact N-OD1 2.89Å; T874-N938 PolarHBondContact O-ND2 3.1Å; T874-N938 PolarHBondContact O-OD1 3.49Å
875V76.6Confident76.4Confident2 Ų246.9 Ų46.91%0.01223%0.23CC..G310 helixtrans-66.2-31-175.3-172.70000111.1M826 V863 R865 F877 V878M826-V875 HydrophobicContact CB-CG1 4.49Å; M826-V875 HydrophobicContact CG-CG1 4.01Å; V863-V875 PolarHBondContact O-N 3.01Å; R865-V875 HydrophobicContact CB-CG2 3.46Å; R865-V875 VanDerWaalsContact CB-CG2 3.46Å; V875-F877 PolarHBondContact O-N 2.96Å; V875-F877 VanDerWaalsContact O-N 3.16Å; V875-V878 WeakPolarHBondContact O-CB 3.49Å; V875-V878 WeakPolarHBondContact O-CG2 3.45Å; V875-V878 PolarHBondContact O-N 3.12Å; V875-V878 VanDerWaalsContact O-N 3.12Å
876N77.7Confident76.8Confident43 Ų4348.1 Ų48.123%0.2324%0.239CC..G310 helixtrans-59.4-26.7175.7-5939.6000113M826 L862 V863 T874M826-N876 HydrophobicContact CE-CB 4.29Å; L862-N876 HydrophobicContact CD2-CB 4.36Å; V863-N876 WeakPolarHBondContact CB-OD1 3.46Å; V863-N876 PolarHBondContact N-OD1 2.87Å; V863-N876 VanDerWaalsContact N-OD1 3.12Å; T874-N876 HydrophobicContact CG2-CB 4.08Å; T874-N876 PolarHBondContact O-N 2.7Å
877F81.2Confident77.3Confident21 Ų2142.9 Ų42.99%0.09222%0.221CC..G310 helixtrans-91.4-5.4-178.3-59.9-21.9000113.1L862 T874 V875 I879 N880 D881 P933 R936L862-F877 HydrophobicContact CD1-CZ 4.08Å; L862-F877 HydrophobicContact CD2-CE1 4.08Å; L862-F877 HydrophobicContact CD2-CZ 4Å; T874-F877 HydrophobicContact CG2-CD1 4.25Å; T874-F877 HydrophobicContact CG2-CD2 3.65Å; T874-F877 HydrophobicContact CG2-CE1 4.31Å; T874-F877 HydrophobicContact CG2-CE2 3.73Å; T874-F877 HydrophobicContact CG2-CG 3.91Å; T874-F877 HydrophobicContact CG2-CZ 4.05Å; T874-F877 PolarHBondContact O-N 3.41Å; T874-F877 VanDerWaalsContact O-N 3.14Å; V875-F877 PolarHBondContact O-N 2.96Å; V875-F877 VanDerWaalsContact O-N 3.16Å; F877-I879 VanDerWaalsContact C-N 3.29Å; F877-I879 PolarHBondContact O-N 3.25Å; F877-N880 CarbonylContact O-C 3.58Å; F877-N880 WeakPolarHBondContact O-CA 3.47Å; F877-N880 WeakPolarHBondContact O-CB 3.34Å; F877-N880 PolarHBondContact O-N 2.94Å; F877-D881 WeakPolarHBondContact O-CB 3.4Å; F877-D881 PolarHBondContact O-N 3.4Å; F877-P933 HydrophobicContact CE1-CG 3.68Å; F877-P933 HydrophobicContact CZ-CB 4.32Å; F877-P933 HydrophobicContact CZ-CG 3.48Å; F877-P933 VanDerWaalsContact CZ-CG 3.48Å; F877-R936 VanDerWaalsContact CB-O 3.29Å; F877-R936 WeakPolarHBondContact CB-O 3.42Å; F877-R936 WeakPolarHBondContact CD1-O 3.32Å; F877-R936 VanDerWaalsContact CG-O 3.31Å; F877-R936 WeakPolarHBondContact CG-O 3.38Å
878V81.9Confident78Confident4 Ų442.1 Ų42.12%0.02422%0.216CC..Hα-helixtrans-66.6-30.9-174.5176.70000112.6L822 I873 V875 D881 L882 V971 F975L822-V878 HydrophobicContact CD1-CG1 4.22Å; L822-V878 HydrophobicContact CD2-CG1 3.73Å; I873-V878 HydrophobicContact CD1-CG2 4.2Å; V875-V878 WeakPolarHBondContact O-CB 3.49Å; V875-V878 WeakPolarHBondContact O-CG2 3.45Å; V875-V878 PolarHBondContact O-N 3.12Å; V875-V878 VanDerWaalsContact O-N 3.12Å; V878-D881 WeakPolarHBondContact O-CB 3.26Å; V878-L882 PolarHBondContact O-N 3.25Å; V878-L882 VanDerWaalsContact O-N 3.16Å; V878-V971 HydrophobicContact CG2-CG1 4.29Å; V878-F975 HydrophobicContact CB-CE2 4.19Å; V878-F975 HydrophobicContact CG1-CD2 3.48Å; V878-F975 VanDerWaalsContact CG1-CD2 3.48Å; V878-F975 HydrophobicContact CG1-CE2 3.59Å; V878-F975 HydrophobicContact CG1-CG 4.09Å; V878-F975 HydrophobicContact CG1-CZ 4.27Å; V878-F975 HydrophobicContact CG2-CD2 4.24Å; V878-F975 HydrophobicContact CG2-CE2 3.48Å; V878-F975 VanDerWaalsContact CG2-CE2 3.48Å; V878-F975 HydrophobicContact CG2-CZ 3.92Å
879I82.7Confident79.1Confident13 Ų1336.2 Ų36.27%0.06719%0.191CC..Hα-helixtrans-70.2-41.9172.8-63.6172.8000110L822 R823 M826 F877 D881 L882 Y883L822-I879 HydrophobicContact CB-CG1 4.06Å; R823-I879 HydrophobicContact CG-CD1 3.54Å; M826-I879 HydrophobicContact SD-CD1 3.89Å; F877-I879 VanDerWaalsContact C-N 3.29Å; F877-I879 PolarHBondContact O-N 3.25Å; I879-D881 VanDerWaalsContact C-N 3.33Å; I879-D881 PolarHBondContact O-N 3.41Å; I879-L882 WeakPolarHBondContact O-CB 3.33Å; I879-L882 PolarHBondContact O-N 3.43Å; I879-Y883 HydrophobicContact CG2-CD2 4.04Å; I879-Y883 HydrophobicContact CG2-CE2 3.45Å; I879-Y883 VanDerWaalsContact CG2-CE2 3.45Å; I879-Y883 WeakPolarHBondContact O-CD2 2.92Å; I879-Y883 PolarHBondContact O-N 3.39Å; I879-Y883 VanDerWaalsContact O-N 3.16Å
880N82.6Confident80.3Confident46 Ų4635.9 Ų35.925%0.24617%0.17CC..Hα-helixtrans-65.8-37.1175.8-62.9-23.9000111.6F877 L882 Y883 F884 F926 R936 V937F877-N880 CarbonylContact O-C 3.58Å; F877-N880 WeakPolarHBondContact O-CA 3.47Å; F877-N880 WeakPolarHBondContact O-CB 3.34Å; F877-N880 PolarHBondContact O-N 2.94Å; N880-L882 VanDerWaalsContact C-N 3.33Å; N880-L882 PolarHBondContact O-N 2.96Å; N880-Y883 PolarHBondContact O-N 3.49Å; N880-F884 WeakPolarHBondContact O-CB 3.41Å; N880-F884 PolarHBondContact O-N 2.89Å; N880-F926 HydrophobicContact CB-CD1 4.47Å; N880-F926 HydrophobicContact CB-CE1 4.48Å; N880-R936 WeakPolarHBondContact CB-O 3.21Å; N880-R936 PolarHBondContact ND2-O 3.22Å; N880-V937 HydrophobicContact CB-CG1 4.28Å
881D84Confident81.6Confident0 Ų028.8 Ų28.80%014%0.137CC..Hα-helixtrans-58.6-43.8173.8-76-16.8000111.5F877 V878 I879 F884 F885 V937 N938 V968F877-D881 WeakPolarHBondContact O-CB 3.4Å; F877-D881 PolarHBondContact O-N 3.4Å; V878-D881 WeakPolarHBondContact O-CB 3.26Å; I879-D881 VanDerWaalsContact C-N 3.33Å; I879-D881 PolarHBondContact O-N 3.41Å; D881-F884 PolarHBondContact O-N 3.03Å; D881-F885 VanDerWaalsContact O-CB 3.28Å; D881-F885 WeakPolarHBondContact O-CB 3.46Å; D881-F885 PolarHBondContact O-N 3.33Å; D881-V937 VanDerWaalsContact OD1-CA 3.29Å; D881-V937 WeakPolarHBondContact OD1-CA 3.42Å; D881-V937 WeakPolarHBondContact OD1-CB 3.36Å; D881-N938 PolarHBondContact OD1-N 2.95Å; D881-N938 WeakPolarHBondContact OD2-CB 3.4Å; D881-N938 PolarHBondContact OD2-ND2 3.45Å; D881-V968 HydrophobicContact CB-CG1 3.67Å; D881-V968 WeakPolarHBondContact O-CG1 3.34Å
882L84.9Confident82.2Confident3 Ų325.9 Ų25.92%0.01613%0.128CC..Hα-helixtrans-61.5-46.7176.1-179.266.4000111.3Y805 M809 F818 E819 L822 V878 I879 N880 S886 I972Y805-L882 HydrophobicContact CE2-CD1 4.28Å; Y805-L882 WeakPolarHBondContact OH-CD1 3.31Å; M809-L882 HydrophobicContact CE-CD1 4.36Å; F818-L882 HydrophobicContact CD1-CD2 3.95Å; F818-L882 HydrophobicContact CE1-CD1 4.11Å; F818-L882 HydrophobicContact CE1-CD2 4.08Å; E819-L882 HydrophobicContact CG-CD2 3.98Å; L822-L882 HydrophobicContact CD1-CD2 4.13Å; V878-L882 PolarHBondContact O-N 3.25Å; V878-L882 VanDerWaalsContact O-N 3.16Å; I879-L882 WeakPolarHBondContact O-CB 3.33Å; I879-L882 PolarHBondContact O-N 3.43Å; N880-L882 VanDerWaalsContact C-N 3.33Å; N880-L882 PolarHBondContact O-N 2.96Å; L882-S886 PolarHBondContact O-N 3.34Å; L882-S886 VanDerWaalsContact O-N 3.13Å; L882-I972 HydrophobicContact CD1-CG2 4.15Å
883Y82.6Confident82.4Confident49 Ų4925.9 Ų25.919%0.19213%0.13CC..Hα-helixtrans-66.3-44.7177.6-64.6-38.9000112.1R815 E819 I879 N880 F885 S886 E887R815-Y883 VanDerWaalsContact NH2-CE1 3.31Å; E819-Y883 WeakPolarHBondContact OE1-CE1 3.19Å; E819-Y883 PolarHBondContact OE2-OH 3.23Å; I879-Y883 HydrophobicContact CG2-CD2 4.04Å; I879-Y883 HydrophobicContact CG2-CE2 3.45Å; I879-Y883 VanDerWaalsContact CG2-CE2 3.45Å; I879-Y883 WeakPolarHBondContact O-CD2 2.92Å; I879-Y883 PolarHBondContact O-N 3.39Å; I879-Y883 VanDerWaalsContact O-N 3.16Å; N880-Y883 PolarHBondContact O-N 3.49Å; Y883-F885 PolarHBondContact O-N 3.46Å; Y883-S886 PolarHBondContact O-N 2.94Å; Y883-E887 WeakPolarHBondContact O-CG 3.37Å; Y883-E887 PolarHBondContact O-N 2.68Å
884F85.4Confident82.4Confident0 Ų026.2 Ų26.20%013%0.131CC..Hα-helixtrans-58.2-48.5177179.1-105000111.1N880 D881 S886 E887 M888 I922 F926 L927 V937 F961 A964 V968N880-F884 WeakPolarHBondContact O-CB 3.41Å; N880-F884 PolarHBondContact O-N 2.89Å; D881-F884 PolarHBondContact O-N 3.03Å; F884-S886 VanDerWaalsContact C-N 3.34Å; F884-S886 PolarHBondContact O-N 3.2Å; F884-E887 PolarHBondContact O-N 2.74Å; F884-M888 HydrophobicContact CD1-CG 4.34Å; F884-M888 HydrophobicContact CD2-CE 3.95Å; F884-M888 HydrophobicContact CE1-CG 4.05Å; F884-M888 HydrophobicContact CE1-SD 4.31Å; F884-M888 HydrophobicContact CE2-CE 3.69Å; F884-M888 HydrophobicContact CE2-SD 4.01Å; F884-M888 HydrophobicContact CZ-CE 4.14Å; F884-M888 HydrophobicContact CZ-CG 4.17Å; F884-M888 HydrophobicContact CZ-SD 3.83Å; F884-M888 VanDerWaalsContact O-CG 3.31Å; F884-M888 WeakPolarHBondContact O-CG 3.12Å; F884-M888 PolarHBondContact O-N 3.45Å; F884-I922 HydrophobicContact CE2-CG2 3.99Å; F884-F926 HydrophobicContact CB-CD1 3.99Å; F884-F926 HydrophobicContact CB-CE1 4.17Å; F884-F926 HydrophobicContact CB-CG 4.22Å; F884-F926 HydrophobicContact CD2-CB 3.64Å; F884-F926 HydrophobicContact CD2-CD1 4.3Å; F884-F926 AromaticContact CD2-CD2 3.86Å; F884-F926 HydrophobicContact CD2-CD2 3.86Å; F884-F926 AromaticContact CD2-CG 3.68Å; F884-F926 HydrophobicContact CD2-CG 3.68Å; F884-F926 HydrophobicContact CE2-CB 4.15Å; F884-F926 HydrophobicContact CG-CG 4.39Å; F884-L927 HydrophobicContact CE2-CD2 4.47Å; F884-V937 HydrophobicContact CB-CG1 3.74Å; F884-V937 HydrophobicContact CD1-CG1 4.32Å; F884-V937 HydrophobicContact CD2-CG1 4.29Å; F884-V937 HydrophobicContact CG-CG1 3.87Å; F884-F961 HydrophobicContact CZ-CD1 4.26Å; F884-A964 HydrophobicContact CE1-CB 3.83Å; F884-A964 HydrophobicContact CZ-CB 3.99Å; F884-V968 HydrophobicContact CD1-CG2 4.19Å; F884-V968 HydrophobicContact CE1-CG2 4.44Å
885F85.4Confident82.5Confident19 Ų1926.1 Ų26.18%0.08313%0.131CC..Hα-helixtrans-60.8-39.7177.7-177.9-97.3000112.9F802 Y805 D881 Y883 M888 E889 I965 V968 F969 I972F802-F885 HydrophobicContact CE2-CZ 4.5Å; Y805-F885 HydrophobicContact CE1-CE1 4.34Å; D881-F885 VanDerWaalsContact O-CB 3.28Å; D881-F885 WeakPolarHBondContact O-CB 3.46Å; D881-F885 PolarHBondContact O-N 3.33Å; Y883-F885 PolarHBondContact O-N 3.46Å; F885-M888 PolarHBondContact O-N 2.85Å; F885-E889 PolarHBondContact O-N 3.43Å; F885-I965 HydrophobicContact CD2-CG2 4.39Å; F885-I965 HydrophobicContact CE2-CG2 3.95Å; F885-V968 HydrophobicContact CB-CG1 4.21Å; F885-F969 HydrophobicContact CD2-CB 4.32Å; F885-F969 HydrophobicContact CE1-CD2 4.44Å; F885-F969 HydrophobicContact CE2-CB 3.81Å; F885-F969 AromaticContact CE2-CD2 3.62Å; F885-F969 HydrophobicContact CE2-CD2 3.62Å; F885-F969 HydrophobicContact CE2-CG 4.12Å; F885-F969 AromaticContact CZ-CD2 3.54Å; F885-F969 HydrophobicContact CZ-CD2 3.54Å; F885-F969 HydrophobicContact CZ-CE2 4.14Å; F885-F969 HydrophobicContact CZ-CG 4.45Å; F885-I972 HydrophobicContact CB-CD1 3.29Å; F885-I972 HydrophobicContact CD1-CD1 3.91Å; F885-I972 HydrophobicContact CD2-CD1 4.17Å; F885-I972 HydrophobicContact CG-CD1 3.53Å
886S83.6Confident82.7Confident27 Ų2727.4 Ų27.419%0.18914%0.139CC..Hα-helixtrans-64.8-39.4175.5-173.40000112.3L882 Y883 F884 M888 E889 K890L882-S886 PolarHBondContact O-N 3.34Å; L882-S886 VanDerWaalsContact O-N 3.13Å; Y883-S886 PolarHBondContact O-N 2.94Å; F884-S886 VanDerWaalsContact C-N 3.34Å; F884-S886 PolarHBondContact O-N 3.2Å; S886-M888 VanDerWaalsContact C-N 3.33Å; S886-E889 PolarHBondContact O-N 3.38Å; S886-K890 PolarHBondContact O-N 3.37Å
887E85Confident82.7Confident41 Ų4128 Ų2819%0.19215%0.147CC..Hα-helixtrans-69.7-31.5177.3-70.3-53.9130.900112Y883 F884 K890 F891Y883-E887 WeakPolarHBondContact O-CG 3.37Å; Y883-E887 PolarHBondContact O-N 2.68Å; F884-E887 PolarHBondContact O-N 2.74Å; E887-K890 PolarHBondContact O-N 2.84Å; E887-K890 IonicContact OE1-NZ 3.85Å; E887-K890 PolarHBondContact OE1-NZ 3.41Å; E887-F891 PolarHBondContact O-N 3.16Å
888M84.1Confident82.4Confident2 Ų227.1 Ų27.11%0.0114%0.144CC..Hα-helixtrans-65.7-38.9175-64.9-48.392.600112.1F884 F885 S886 K890 F891 N892 I922 F961 I965F884-M888 HydrophobicContact CD1-CG 4.34Å; F884-M888 HydrophobicContact CD2-CE 3.95Å; F884-M888 HydrophobicContact CE1-CG 4.05Å; F884-M888 HydrophobicContact CE1-SD 4.31Å; F884-M888 HydrophobicContact CE2-CE 3.69Å; F884-M888 HydrophobicContact CE2-SD 4.01Å; F884-M888 HydrophobicContact CZ-CE 4.14Å; F884-M888 HydrophobicContact CZ-CG 4.17Å; F884-M888 HydrophobicContact CZ-SD 3.83Å; F884-M888 VanDerWaalsContact O-CG 3.31Å; F884-M888 WeakPolarHBondContact O-CG 3.12Å; F884-M888 PolarHBondContact O-N 3.45Å; F885-M888 PolarHBondContact O-N 2.85Å; S886-M888 VanDerWaalsContact C-N 3.33Å; M888-K890 VanDerWaalsContact C-N 3.34Å; M888-F891 PolarHBondContact O-N 3.36Å; M888-N892 WeakPolarHBondContact O-CB 3.4Å; M888-N892 PolarHBondContact O-N 2.72Å; M888-N892 PolarHBondContact O-ND2 3.01Å; M888-I922 HydrophobicContact CE-CB 4.38Å; M888-I922 HydrophobicContact CE-CD1 3.73Å; M888-I922 HydrophobicContact CE-CG1 3.99Å; M888-I922 HydrophobicContact CE-CG2 3.48Å; M888-I922 VanDerWaalsContact CE-CG2 3.48Å; M888-F961 HydrophobicContact CE-CD1 4.42Å; M888-F961 HydrophobicContact CE-CE1 4.44Å; M888-F961 HydrophobicContact CG-CB 4.25Å; M888-F961 HydrophobicContact SD-CB 3.45Å; M888-F961 WeakPolarHBondContact SD-CB 3.27Å; M888-F961 HydrophobicContact SD-CD1 3.34Å; M888-F961 WeakPolarHBondContact SD-CD1 3.36Å; M888-F961 HydrophobicContact SD-CD2 3.62Å; M888-F961 HydrophobicContact SD-CE1 3.9Å; M888-F961 HydrophobicContact SD-CE2 4.15Å; M888-F961 HydrophobicContact SD-CG 3.16Å; M888-F961 WeakPolarHBondContact SD-CG 3.48Å; M888-F961 HydrophobicContact SD-CZ 4.27Å; M888-I965 HydrophobicContact CB-CD1 3.9Å; M888-I965 HydrophobicContact CB-CG1 3.92Å; M888-I965 HydrophobicContact CG-CD1 4.32Å; M888-I965 HydrophobicContact CG-CG1 3.93Å
889E80.7Confident82.1Confident70 Ų7031.8 Ų31.833%0.32717%0.165SC..Hα-helixtrans-63.3-41.6175.1-169.4176.1-179.500110.9R806 F885 S886 N892 N893R806-E889 IonicContact NE-OE1 3.51Å; F885-E889 PolarHBondContact O-N 3.43Å; S886-E889 PolarHBondContact O-N 3.38Å; E889-N892 PolarHBondContact O-N 2.81Å; E889-N893 VanDerWaalsContact O-CG 3.27Å; E889-N893 PolarHBondContact O-N 2.96Å; E889-N893 VanDerWaalsContact O-N 3.1Å; E889-N893 PolarHBondContact O-ND2 3.08Å
890K81.4Confident81.5Confident62 Ų6236.1 Ų36.127%0.2719%0.186SC..Hα-helixtrans-66-39.3175.5-67.5178.6-175.4173.90112.7E592 S886 E887 M888 N893 L894E592-K890 IonicContact OE1-NZ 3.21Å; E592-K890 PolarHBondContact OE1-NZ 2.9Å; S886-K890 PolarHBondContact O-N 3.37Å; E887-K890 PolarHBondContact O-N 2.84Å; E887-K890 IonicContact OE1-NZ 3.85Å; E887-K890 PolarHBondContact OE1-NZ 3.41Å; M888-K890 VanDerWaalsContact C-N 3.34Å; K890-N893 PolarHBondContact O-N 2.84Å; K890-L894 PolarHBondContact O-N 2.77Å; K890-L894 VanDerWaalsContact O-N 3.12Å
891F84.1Confident80.9Confident0 Ų034.5 Ų34.50%018%0.177CC..Hα-helixtrans-65.2-45.1175.2179.7-97.2000111.5E887 M888 N893 L894 V895 K918 M919 I922 F961E887-F891 PolarHBondContact O-N 3.16Å; M888-F891 PolarHBondContact O-N 3.36Å; F891-N893 VanDerWaalsContact C-N 3.27Å; F891-N893 PolarHBondContact O-N 3.2Å; F891-L894 WeakPolarHBondContact O-CA 3.25Å; F891-L894 WeakPolarHBondContact O-CB 3.32Å; F891-L894 PolarHBondContact O-N 2.67Å; F891-V895 HydrophobicContact CD1-CG2 4.04Å; F891-V895 HydrophobicContact CE1-CG2 3.58Å; F891-V895 HydrophobicContact CE2-CG2 4.38Å; F891-V895 HydrophobicContact CZ-CG2 3.78Å; F891-V895 WeakPolarHBondContact O-CG2 3.48Å; F891-V895 PolarHBondContact O-N 3.07Å; F891-K918 HydrophobicContact CD2-CD 4.33Å; F891-K918 HydrophobicContact CD2-CG 4.3Å; F891-M919 HydrophobicContact CE1-SD 4.42Å; F891-M919 HydrophobicContact CE2-CB 4.21Å; F891-M919 HydrophobicContact CE2-SD 4.21Å; F891-M919 HydrophobicContact CZ-SD 3.69Å; F891-I922 HydrophobicContact CB-CD1 4.24Å; F891-I922 HydrophobicContact CD2-CD1 4.29Å; F891-I922 HydrophobicContact CG-CD1 4.44Å; F891-F961 AromaticContact CD1-CD2 3.82Å; F891-F961 HydrophobicContact CD1-CD2 3.82Å; F891-F961 AromaticContact CD1-CE2 3.85Å; F891-F961 HydrophobicContact CD1-CE2 3.85Å; F891-F961 AromaticContact CE1-CD2 3.94Å; F891-F961 HydrophobicContact CE1-CD2 3.94Å; F891-F961 AromaticContact CE1-CE2 3.81Å; F891-F961 HydrophobicContact CE1-CE2 3.81Å; F891-F961 HydrophobicContact CG-CE2 4.3Å; F891-F961 HydrophobicContact CZ-CE2 4.23Å
892N84Confident80.3Confident32 Ų3239.6 Ų39.617%0.17120%0.201CC..Hα-helixtrans-60.4-36.1176.6-76.9-27.2000112.7M888 E889 S896 R958M888-N892 WeakPolarHBondContact O-CB 3.4Å; M888-N892 PolarHBondContact O-N 2.72Å; M888-N892 PolarHBondContact O-ND2 3.01Å; E889-N892 PolarHBondContact O-N 2.81Å; N892-S896 PolarHBondContact O-N 2.93Å; N892-S896 PolarHBondContact O-OG 2.76Å; N892-R958 WeakPolarHBondContact OD1-CA 3.28Å
893N81.4Confident79.6Confident93 Ų9343.1 Ų43.150%0.49722%0.223SC..Hα-helixtrans-65.6-40.4172.7-68.2-24.7000111.8E889 K890 F891 S896 S897E889-N893 VanDerWaalsContact O-CG 3.27Å; E889-N893 PolarHBondContact O-N 2.96Å; E889-N893 VanDerWaalsContact O-N 3.1Å; E889-N893 PolarHBondContact O-ND2 3.08Å; K890-N893 PolarHBondContact O-N 2.84Å; F891-N893 VanDerWaalsContact C-N 3.27Å; F891-N893 PolarHBondContact O-N 3.2Å; N893-S896 VanDerWaalsContact O-CB 3.26Å; N893-S896 WeakPolarHBondContact O-CB 3.04Å; N893-S896 PolarHBondContact O-N 3.31Å; N893-S897 PolarHBondContact O-N 3.45Å; N893-S897 PolarHBondContact O-OG 3.27Å
894L81.3Confident78.8Confident9 Ų945.1 Ų45.15%0.04724%0.237CC..Hα-helixtrans-61.5-47175.7-176.268.5000111.8Y598 K890 F891 S896 S897 A898 L914 M915 K918Y598-L894 HydrophobicContact CD1-CD1 3.68Å; Y598-L894 HydrophobicContact CE1-CD1 3.95Å; K890-L894 PolarHBondContact O-N 2.77Å; K890-L894 VanDerWaalsContact O-N 3.12Å; F891-L894 WeakPolarHBondContact O-CA 3.25Å; F891-L894 WeakPolarHBondContact O-CB 3.32Å; F891-L894 PolarHBondContact O-N 2.67Å; L894-S896 PolarHBondContact O-N 3.09Å; L894-S897 PolarHBondContact O-N 3.18Å; L894-S897 VanDerWaalsContact O-N 3.15Å; L894-A898 PolarHBondContact O-N 3.46Å; L894-L914 HydrophobicContact CD1-CD2 4.27Å; L894-L914 HydrophobicContact CD2-CG 4.4Å; L894-M915 HydrophobicContact CD2-CG 3.99Å; L894-M915 HydrophobicContact CG-CG 4.17Å; L894-K918 HydrophobicContact CD2-CB 4.41Å; L894-K918 HydrophobicContact CD2-CD 3.55Å
895V82.4Confident77.9Confident13 Ų1355 Ų558%0.07927%0.274CS..Hα-helixtrans-59.9-36.5175176.40000111.1F891 H899 M915 R958F891-V895 HydrophobicContact CD1-CG2 4.04Å; F891-V895 HydrophobicContact CE1-CG2 3.58Å; F891-V895 HydrophobicContact CE2-CG2 4.38Å; F891-V895 HydrophobicContact CZ-CG2 3.78Å; F891-V895 WeakPolarHBondContact O-CG2 3.48Å; F891-V895 PolarHBondContact O-N 3.07Å; V895-H899 WeakPolarHBondContact O-CB 3.3Å; V895-H899 PolarHBondContact O-N 3.39Å; V895-M915 HydrophobicContact CG2-SD 4.28Å; V895-R958 HydrophobicContact CB-CG 4.15Å; V895-R958 HydrophobicContact CG1-CG 3.81Å
896S80.1Confident76.8Confident28 Ų2855.6 Ų55.620%0.19628%0.283CS..Hα-helixtrans-63.6-43.1175.7-52.10000112.5N892 N893 L894 M900 R958N892-S896 PolarHBondContact O-N 2.93Å; N892-S896 PolarHBondContact O-OG 2.76Å; N893-S896 VanDerWaalsContact O-CB 3.26Å; N893-S896 WeakPolarHBondContact O-CB 3.04Å; N893-S896 PolarHBondContact O-N 3.31Å; L894-S896 PolarHBondContact O-N 3.09Å; S896-M900 VanDerWaalsContact O-CG 3.29Å; S896-M900 WeakPolarHBondContact O-CG 3.39Å; S896-M900 PolarHBondContact O-N 2.85Å; S896-M900 VanDerWaalsContact O-N 3.14Å; S896-R958 PolarHBondContact OG-NE 2.87Å; S896-R958 VanDerWaalsContact OG-NE 3.12Å; S896-R958 PolarHBondContact OG-NH2 3.15Å
897S77.4Confident76Confident57 Ų5758.1 Ų58.140%0.39929%0.289SS..Hα-helixtrans-68.1-42.5177.9-59.20000111.7N893 L894 H899 M900 L901N893-S897 PolarHBondContact O-N 3.45Å; N893-S897 PolarHBondContact O-OG 3.27Å; L894-S897 PolarHBondContact O-N 3.18Å; L894-S897 VanDerWaalsContact O-N 3.15Å; S897-H899 PolarHBondContact O-N 2.94Å; S897-M900 WeakPolarHBondContact O-CB 3.33Å; S897-M900 PolarHBondContact O-N 3.4Å; S897-M900 VanDerWaalsContact O-N 3.1Å; S897-L901 PolarHBondContact O-N 3.5Å
898A75.2Confident75.3Confident2 Ų259.3 Ų59.32%0.01730%0.296CS..Hα-helixtrans-61.5-42.9176.600000111.9L894 M900 L901 Q902 Y907 M915L894-A898 PolarHBondContact O-N 3.46Å; A898-M900 VanDerWaalsContact C-N 3.3Å; A898-M900 PolarHBondContact O-N 3.39Å; A898-L901 PolarHBondContact O-N 2.9Å; A898-Q902 PolarHBondContact O-N 3.18Å; A898-Y907 HydrophobicContact CB-CE2 4.31Å; A898-M915 HydrophobicContact CB-CE 3.67Å; A898-M915 HydrophobicContact CB-SD 3.57Å; A898-M915 VanDerWaalsContact CB-SD 3.57Å
899H74.9Confident74.7Confident102 Ų10266.8 Ų66.847%0.47233%0.331SS..Hα-helixtrans-62.2-35.9173.6-176-75.3000112.2V895 S897 Q902 V903V895-H899 WeakPolarHBondContact O-CB 3.3Å; V895-H899 PolarHBondContact O-N 3.39Å; S897-H899 PolarHBondContact O-N 2.94Å; H899-Q902 PolarHBondContact O-N 3.48Å; H899-V903 WeakPolarHBondContact O-CG2 3.06Å; H899-V903 PolarHBondContact O-N 3.24Å
900M71Confident74.1Confident103 Ų10368.9 Ų68.951%0.50735%0.345SS..Hα-helixtrans-68.2-37.2175.3-68-80.675.400112.6S896 S897 A898 Q902 V903 N904S896-M900 VanDerWaalsContact O-CG 3.29Å; S896-M900 WeakPolarHBondContact O-CG 3.39Å; S896-M900 PolarHBondContact O-N 2.85Å; S896-M900 VanDerWaalsContact O-N 3.14Å; S897-M900 WeakPolarHBondContact O-CB 3.33Å; S897-M900 PolarHBondContact O-N 3.4Å; S897-M900 VanDerWaalsContact O-N 3.1Å; A898-M900 VanDerWaalsContact C-N 3.3Å; A898-M900 PolarHBondContact O-N 3.39Å; M900-Q902 VanDerWaalsContact C-N 3.35Å; M900-V903 HydrophobicContact CE-CB 4.29Å; M900-V903 HydrophobicContact CE-CG2 4.13Å; M900-V903 PolarHBondContact O-N 3.26Å; M900-N904 WeakPolarHBondContact O-CB 3.42Å; M900-N904 PolarHBondContact O-N 3.03Å; M900-N904 PolarHBondContact O-ND2 2.62Å
901L71Confident73.4Confident12 Ų1266.1 Ų66.16%0.06333%0.333CS..Hα-helixtrans-68.1-34173.3-70.7175.3000112.9Y598 C602 S897 A898 N904 R905 A906 Y907Y598-L901 HydrophobicContact CE1-CD1 4.26Å; Y598-L901 HydrophobicContact CE2-CD1 4.25Å; Y598-L901 WeakPolarHBondContact OH-CD1 3.5Å; C602-L901 HydrophobicContact CB-CD1 4.4Å; C602-L901 HydrophobicContact CB-CD2 4.26Å; C602-L901 WeakPolarHBondContact SG-CD1 3.34Å; S897-L901 PolarHBondContact O-N 3.5Å; A898-L901 PolarHBondContact O-N 2.9Å; L901-N904 CarbonylContact O-C 3.59Å; L901-N904 PolarHBondContact O-N 3.47Å; L901-R905 PolarHBondContact O-N 3.15Å; L901-A906 HydrophobicContact CD2-CB 4.45Å; L901-A906 PolarHBondContact O-N 3.19Å; L901-Y907 PolarHBondContact O-N 3.45Å
902Q70.3Confident72.8Confident107 Ų10767.4 Ų67.450%0.534%0.341SS..Hα-helixtrans-62.9-45.2172.4-166.3-179.719.300112A898 H899 M900 N904 R905 Y907A898-Q902 PolarHBondContact O-N 3.18Å; H899-Q902 PolarHBondContact O-N 3.48Å; M900-Q902 VanDerWaalsContact C-N 3.35Å; Q902-N904 PolarHBondContact O-N 3.11Å; Q902-R905 PolarHBondContact O-N 3.23Å; Q902-R905 VanDerWaalsContact O-N 3.17Å; Q902-Y907 HydrophobicContact CB-CD2 3.93Å; Q902-Y907 HydrophobicContact CB-CG 4.02Å; Q902-Y907 HydrophobicContact CG-CD1 4.47Å; Q902-Y907 HydrophobicContact CG-CD2 4.48Å; Q902-Y907 HydrophobicContact CG-CG 4.22Å
903V69.8Low72.4Confident77 Ų7770.6 Ų70.647%0.46736%0.357SS..Hα-helixtrans-62-35173.61730000111.3H899 M900 R905H899-V903 WeakPolarHBondContact O-CG2 3.06Å; H899-V903 PolarHBondContact O-N 3.24Å; M900-V903 HydrophobicContact CE-CB 4.29Å; M900-V903 HydrophobicContact CE-CG2 4.13Å; M900-V903 PolarHBondContact O-N 3.26Å; V903-R905 VanDerWaalsContact C-N 3.28Å; V903-R905 PolarHBondContact O-N 3.26Å
904N67.1Low72.1Confident91 Ų9167.1 Ų67.149%0.48734%0.338SS..THydrogen-bonded Turntrans-82.46.7178.1-67.2-19.2000114.5M900 L901 Q902 A906M900-N904 WeakPolarHBondContact O-CB 3.42Å; M900-N904 PolarHBondContact O-N 3.03Å; M900-N904 PolarHBondContact O-ND2 2.62Å; L901-N904 CarbonylContact O-C 3.59Å; L901-N904 PolarHBondContact O-N 3.47Å; Q902-N904 PolarHBondContact O-N 3.11Å; N904-A906 PolarHBondContact O-N 2.95Å; N904-A906 VanDerWaalsContact O-N 3.09Å
905R64.8Low71.9Confident208 Ų20867 Ų6779%0.78534%0.337SS*.THydrogen-bonded Turntrans54.222.1-176.5-58.9-175.2179.2-176.1-0.2114.9L901 Q902 V903L901-R905 PolarHBondContact O-N 3.15Å; Q902-R905 PolarHBondContact O-N 3.23Å; Q902-R905 VanDerWaalsContact O-N 3.17Å; V903-R905 VanDerWaalsContact C-N 3.28Å; V903-R905 PolarHBondContact O-N 3.26Å
906A64.1Low71.7Confident32 Ų3272.8 Ų72.826%0.26436%0.358SS..  trans-109.419178.200000111.9L901 N904L901-A906 HydrophobicContact CD2-CB 4.45Å; L901-A906 PolarHBondContact O-N 3.19Å; N904-A906 PolarHBondContact O-N 2.95Å; N904-A906 VanDerWaalsContact O-N 3.09Å
907Y66.6Low71.6Confident80 Ų8073.8 Ų73.831%0.31437%0.365SS..  trans-81.3121.6-176.3-179.6-100.5000111.4A898 L901 Q902 D911 V912 M915A898-Y907 HydrophobicContact CB-CE2 4.31Å; L901-Y907 PolarHBondContact O-N 3.45Å; Q902-Y907 HydrophobicContact CB-CD2 3.93Å; Q902-Y907 HydrophobicContact CB-CG 4.02Å; Q902-Y907 HydrophobicContact CG-CD1 4.47Å; Q902-Y907 HydrophobicContact CG-CD2 4.48Å; Q902-Y907 HydrophobicContact CG-CG 4.22Å; Y907-D911 HydrophobicContact CD2-CB 4.36Å; Y907-D911 HydrophobicContact CE2-CB 4.23Å; Y907-V912 HydrophobicContact CE1-CG2 3.94Å; Y907-V912 VanDerWaalsContact OH-CG2 3.26Å; Y907-V912 WeakPolarHBondContact OH-CG2 3.35Å; Y907-M915 HydrophobicContact CE2-CE 4.27Å
908N69.1Low71.8Confident66 Ų6671.5 Ų71.535%0.35335%0.348SS..  trans-113.6157.5-173.8-77.9-21000112.1Y601 N910 D911Y601-N908 PolarHBondContact OH-ND2 3.28Å; N908-N910 PolarHBondContact O-N 2.92Å; N908-D911 PolarHBondContact N-OD2 3.16Å; N908-D911 WeakPolarHBondContact O-CB 3.44Å; N908-D911 VanDerWaalsContact O-CG 3.29Å; N908-D911 PolarHBondContact O-N 2.75Å
909E71.7Confident72Confident159 Ų15971.6 Ų71.674%0.74335%0.348SS*.Hα-helixtrans-60.8-29.6178.4-166167.7-16900112.3D911 V912 I913E909-D911 PolarHBondContact O-N 3.04Å; E909-V912 WeakPolarHBondContact O-CB 3.44Å; E909-V912 PolarHBondContact O-N 3.44Å; E909-I913 WeakPolarHBondContact O-CG1 3.47Å; E909-I913 PolarHBondContact O-N 3.42Å; E909-I913 VanDerWaalsContact O-N 3.1Å
910N67.9Low72.1Confident114 Ų11470 Ų7061%0.6134%0.343SS*.Hα-helixtrans-59.4-29172.6-66.8-25.7000113.2N908 I913 L914N908-N910 PolarHBondContact O-N 2.92Å; N910-I913 PolarHBondContact O-N 2.92Å; N910-L914 WeakPolarHBondContact O-CB 3.23Å; N910-L914 PolarHBondContact O-N 3.33Å
911D66.4Low72.5Confident3 Ų367.6 Ų67.62%0.01633%0.331CS..Hα-helixtrans-72.1-37.8-179.4-53.4-10.4000110.4Y598 Y907 N908 E909 L914 M915Y598-D911 HydrophobicContact CE2-CB 4.23Å; Y598-D911 WeakPolarHBondContact CE2-OD1 3.22Å; Y598-D911 VanDerWaalsContact OH-CB 3.24Å; Y598-D911 WeakPolarHBondContact OH-CB 3.41Å; Y598-D911 PolarHBondContact OH-OD1 2.89Å; Y598-D911 PolarHBondContact OH-OD2 3.15Å; Y907-D911 HydrophobicContact CD2-CB 4.36Å; Y907-D911 HydrophobicContact CE2-CB 4.23Å; N908-D911 PolarHBondContact N-OD2 3.16Å; N908-D911 WeakPolarHBondContact O-CB 3.44Å; N908-D911 VanDerWaalsContact O-CG 3.29Å; N908-D911 PolarHBondContact O-N 2.75Å; E909-D911 PolarHBondContact O-N 3.04Å; D911-L914 PolarHBondContact O-N 3.45Å; D911-M915 WeakPolarHBondContact O-CE 3.46Å; D911-M915 WeakPolarHBondContact O-CG 3.38Å; D911-M915 PolarHBondContact O-N 3.08Å
912V73.1Confident73Confident28 Ų2867.3 Ų67.317%0.1733%0.33CS..Hα-helixtrans-66.4-43.6173.7-1720000110.3Y907 E909 L914 M915 R916 L956Y907-V912 HydrophobicContact CE1-CG2 3.94Å; Y907-V912 VanDerWaalsContact OH-CG2 3.26Å; Y907-V912 WeakPolarHBondContact OH-CG2 3.35Å; E909-V912 WeakPolarHBondContact O-CB 3.44Å; E909-V912 PolarHBondContact O-N 3.44Å; V912-L914 VanDerWaalsContact C-N 3.33Å; V912-L914 PolarHBondContact O-N 3.25Å; V912-M915 PolarHBondContact O-N 3.06Å; V912-R916 WeakPolarHBondContact O-CB 3.34Å; V912-R916 WeakPolarHBondContact O-CG 3.44Å; V912-R916 PolarHBondContact O-N 2.94Å; V912-L956 HydrophobicContact CG1-CD1 3.59Å
913I74.4Confident73.4Confident98 Ų9864.1 Ų64.150%0.50332%0.315SS..Hα-helixtrans-63-41.8177.6-65.4167.5000110.4E909 N910 R916 S917E909-I913 WeakPolarHBondContact O-CG1 3.47Å; E909-I913 PolarHBondContact O-N 3.42Å; E909-I913 VanDerWaalsContact O-N 3.1Å; N910-I913 PolarHBondContact O-N 2.92Å; I913-R916 PolarHBondContact O-N 3.05Å; I913-S917 WeakPolarHBondContact O-CB 3.4Å; I913-S917 PolarHBondContact O-N 3.21Å
914L75.1Confident73.8Confident20 Ų2066.9 Ų66.911%0.10532%0.32CS..Hα-helixtrans-62.5-47.7176.2176.754.4000112.3I594 Y598 L894 N910 D911 V912 R916 S917 K918I594-L914 HydrophobicContact CB-CD1 4.08Å; I594-L914 HydrophobicContact CD1-CD1 4.45Å; I594-L914 HydrophobicContact CG2-CD1 3.19Å; I594-L914 HydrophobicContact CG2-CD2 4.02Å; I594-L914 HydrophobicContact CG2-CG 4.22Å; Y598-L914 HydrophobicContact CD1-CD2 3.83Å; Y598-L914 HydrophobicContact CD2-CD2 3.73Å; Y598-L914 HydrophobicContact CE1-CD2 4.41Å; Y598-L914 HydrophobicContact CE2-CD2 4.37Å; Y598-L914 HydrophobicContact CG-CD2 3.42Å; Y598-L914 VanDerWaalsContact CG-CD2 3.42Å; L894-L914 HydrophobicContact CD1-CD2 4.27Å; L894-L914 HydrophobicContact CD2-CG 4.4Å; N910-L914 WeakPolarHBondContact O-CB 3.23Å; N910-L914 PolarHBondContact O-N 3.33Å; D911-L914 PolarHBondContact O-N 3.45Å; V912-L914 VanDerWaalsContact C-N 3.33Å; V912-L914 PolarHBondContact O-N 3.25Å; L914-R916 PolarHBondContact O-N 3.41Å; L914-S917 PolarHBondContact O-N 3Å; L914-K918 PolarHBondContact O-N 3.38Å
915M78.3Confident74.2Confident7 Ų766 Ų663%0.03432%0.316CS..Hα-helixtrans-61.9-42.3177-71.4-173.9-73.500111.6L894 V895 A898 Y907 D911 V912 K918 M919 L956L894-M915 HydrophobicContact CD2-CG 3.99Å; L894-M915 HydrophobicContact CG-CG 4.17Å; V895-M915 HydrophobicContact CG2-SD 4.28Å; A898-M915 HydrophobicContact CB-CE 3.67Å; A898-M915 HydrophobicContact CB-SD 3.57Å; A898-M915 VanDerWaalsContact CB-SD 3.57Å; Y907-M915 HydrophobicContact CE2-CE 4.27Å; D911-M915 WeakPolarHBondContact O-CE 3.46Å; D911-M915 WeakPolarHBondContact O-CG 3.38Å; D911-M915 PolarHBondContact O-N 3.08Å; V912-M915 PolarHBondContact O-N 3.06Å; M915-K918 PolarHBondContact O-N 3.17Å; M915-M919 WeakPolarHBondContact O-CB 2.79Å; M915-M919 PolarHBondContact O-N 3.47Å; M915-L956 HydrophobicContact CB-CD1 4.42Å; M915-L956 HydrophobicContact CB-CD2 4.03Å
916R77.3Confident74.9Confident134 Ų13456.8 Ų56.851%0.50628%0.281SS..Hα-helixtrans-62.4-44.2174.4-77.5-176.9-173.9-175.53.2112.5V912 I913 L914 M919 N920 L956V912-R916 WeakPolarHBondContact O-CB 3.34Å; V912-R916 WeakPolarHBondContact O-CG 3.44Å; V912-R916 PolarHBondContact O-N 2.94Å; I913-R916 PolarHBondContact O-N 3.05Å; L914-R916 PolarHBondContact O-N 3.41Å; R916-M919 PolarHBondContact O-N 2.95Å; R916-N920 VanDerWaalsContact O-CG 3.29Å; R916-N920 PolarHBondContact O-N 3.02Å; R916-N920 PolarHBondContact O-ND2 3.4Å; R916-L956 HydrophobicContact CG-CD1 4.07Å; R916-L956 HydrophobicContact CG-CD2 3.9Å
917S77.5Confident75.6Confident49 Ų4955.3 Ų55.334%0.34327%0.269SS..Hα-helixtrans-60.7-47.4178.6-178.70000111.5I913 L914 M919 N920 I921I913-S917 WeakPolarHBondContact O-CB 3.4Å; I913-S917 PolarHBondContact O-N 3.21Å; L914-S917 PolarHBondContact O-N 3Å; S917-M919 VanDerWaalsContact C-N 3.31Å; S917-M919 PolarHBondContact O-N 3.05Å; S917-N920 PolarHBondContact O-N 3.05Å; S917-I921 WeakPolarHBondContact O-CG1 3.37Å; S917-I921 PolarHBondContact O-N 3.31Å; S917-I921 VanDerWaalsContact O-N 3.1Å
918K81.9Confident76Confident10 Ų1054 Ų544%0.04327%0.267CS..Hα-helixtrans-61.3-40.1176.6-167.3166.8-168.8162.20112V591 S595 F891 L894 L914 M915 I921 I922V591-K918 HydrophobicContact CG1-CD 4.25Å; V591-K918 HydrophobicContact CG1-CG 4.12Å; S595-K918 PolarHBondContact OG-NZ 3.1Å; F891-K918 HydrophobicContact CD2-CD 4.33Å; F891-K918 HydrophobicContact CD2-CG 4.3Å; L894-K918 HydrophobicContact CD2-CB 4.41Å; L894-K918 HydrophobicContact CD2-CD 3.55Å; L914-K918 PolarHBondContact O-N 3.38Å; M915-K918 PolarHBondContact O-N 3.17Å; K918-I921 PolarHBondContact O-N 3.36Å; K918-I922 HydrophobicContact CG-CD1 4.35Å; K918-I922 WeakPolarHBondContact O-CD1 2.9Å; K918-I922 WeakPolarHBondContact O-CG1 2.88Å; K918-I922 PolarHBondContact O-N 3.36Å; K918-I922 VanDerWaalsContact O-N 3.15Å
919M78.6Confident76.1Confident3 Ų351.4 Ų51.42%0.01526%0.255CS..Hα-helixtrans-65.1-42177.9-159.6146.690.600112.2F891 M915 R916 S917 I921 I922 Q923 I951 Y955 L956 V960 F961F891-M919 HydrophobicContact CE1-SD 4.42Å; F891-M919 HydrophobicContact CE2-CB 4.21Å; F891-M919 HydrophobicContact CE2-SD 4.21Å; F891-M919 HydrophobicContact CZ-SD 3.69Å; M915-M919 WeakPolarHBondContact O-CB 2.79Å; M915-M919 PolarHBondContact O-N 3.47Å; R916-M919 PolarHBondContact O-N 2.95Å; S917-M919 VanDerWaalsContact C-N 3.31Å; S917-M919 PolarHBondContact O-N 3.05Å; M919-I921 VanDerWaalsContact C-N 3.33Å; M919-I921 PolarHBondContact O-N 2.82Å; M919-I922 PolarHBondContact O-N 2.91Å; M919-Q923 WeakPolarHBondContact O-CB 2.98Å; M919-Q923 PolarHBondContact O-N 2.84Å; M919-I951 HydrophobicContact CE-CB 4.06Å; M919-I951 HydrophobicContact CE-CG1 3.39Å; M919-I951 HydrophobicContact CE-CG2 4.36Å; M919-I951 HydrophobicContact CG-CD1 4.07Å; M919-I951 HydrophobicContact CG-CG1 3.87Å; M919-I951 HydrophobicContact SD-CG1 4.12Å; M919-Y955 VanDerWaalsContact CE-O 3.25Å; M919-Y955 WeakPolarHBondContact CE-O 3.18Å; M919-L956 HydrophobicContact CE-CD2 3.74Å; M919-L956 HydrophobicContact SD-CD2 4.25Å; M919-V960 HydrophobicContact SD-CG1 4.12Å; M919-F961 HydrophobicContact CG-CE2 4.11Å; M919-F961 HydrophobicContact CG-CZ 3.91Å; M919-F961 HydrophobicContact SD-CE2 4Å; M919-F961 HydrophobicContact SD-CZ 4.27Å
920N77.9Confident75.5Confident70 Ų7050.9 Ų50.937%0.37426%0.257SS..Hα-helixtrans-63.3-36175.7-73.2-21.8000112.8R916 S917 Q923 K924R916-N920 VanDerWaalsContact O-CG 3.29Å; R916-N920 PolarHBondContact O-N 3.02Å; R916-N920 PolarHBondContact O-ND2 3.4Å; S917-N920 PolarHBondContact O-N 3.05Å; N920-Q923 WeakPolarHBondContact O-CB 3.26Å; N920-Q923 PolarHBondContact O-N 2.86Å; N920-K924 WeakPolarHBondContact O-CG 3.37Å; N920-K924 PolarHBondContact O-N 3.5Å
921I79.9Confident75Confident52 Ų5250.5 Ų50.527%0.26725%0.254SS..Hα-helixtrans-69.3-44177.9-67.7167.8000111V591 S917 K918 M919 Q923 K924 L925V591-I921 HydrophobicContact CG2-CD1 3.33Å; V591-I921 HydrophobicContact CG2-CG2 4.25Å; S917-I921 WeakPolarHBondContact O-CG1 3.37Å; S917-I921 PolarHBondContact O-N 3.31Å; S917-I921 VanDerWaalsContact O-N 3.1Å; K918-I921 PolarHBondContact O-N 3.36Å; M919-I921 VanDerWaalsContact C-N 3.33Å; M919-I921 PolarHBondContact O-N 2.82Å; I921-Q923 VanDerWaalsContact C-N 3.26Å; I921-Q923 PolarHBondContact O-N 3.01Å; I921-K924 PolarHBondContact O-N 2.82Å; I921-L925 HydrophobicContact CG2-CD1 3.73Å; I921-L925 HydrophobicContact CG2-CG 4.37Å; I921-L925 WeakPolarHBondContact O-CB 3.29Å; I921-L925 WeakPolarHBondContact O-CG 2.67Å; I921-L925 PolarHBondContact O-N 3.05Å
922I81.4Confident74.2Confident6 Ų653.6 Ų53.63%0.03127%0.274CS..Hα-helixtrans-56.7-45173.6-73.1160.3000110.3F884 M888 F891 K918 M919 L925 F926 F961F884-I922 HydrophobicContact CE2-CG2 3.99Å; M888-I922 HydrophobicContact CE-CB 4.38Å; M888-I922 HydrophobicContact CE-CD1 3.73Å; M888-I922 HydrophobicContact CE-CG1 3.99Å; M888-I922 HydrophobicContact CE-CG2 3.48Å; M888-I922 VanDerWaalsContact CE-CG2 3.48Å; F891-I922 HydrophobicContact CB-CD1 4.24Å; F891-I922 HydrophobicContact CD2-CD1 4.29Å; F891-I922 HydrophobicContact CG-CD1 4.44Å; K918-I922 HydrophobicContact CG-CD1 4.35Å; K918-I922 WeakPolarHBondContact O-CD1 2.9Å; K918-I922 WeakPolarHBondContact O-CG1 2.88Å; K918-I922 PolarHBondContact O-N 3.36Å; K918-I922 VanDerWaalsContact O-N 3.15Å; M919-I922 PolarHBondContact O-N 2.91Å; I922-L925 PolarHBondContact O-N 3.49Å; I922-F926 PolarHBondContact O-N 3.19Å; I922-F926 VanDerWaalsContact O-N 3.12Å; I922-F961 HydrophobicContact CG2-CE1 3.85Å; I922-F961 HydrophobicContact CG2-CZ 3.84Å
923Q79.3Confident73.7Confident39 Ų3954.2 Ų54.218%0.18228%0.278CS..Iπ-helixtrans-59.9-51178.9-176.4-169.9-8.600111.5M919 N920 I921 L925 L927 N928 L948 I951M919-Q923 WeakPolarHBondContact O-CB 2.98Å; M919-Q923 PolarHBondContact O-N 2.84Å; N920-Q923 WeakPolarHBondContact O-CB 3.26Å; N920-Q923 PolarHBondContact O-N 2.86Å; I921-Q923 VanDerWaalsContact C-N 3.26Å; I921-Q923 PolarHBondContact O-N 3.01Å; Q923-L925 VanDerWaalsContact C-N 3.32Å; Q923-L925 PolarHBondContact O-N 3.38Å; Q923-L927 PolarHBondContact O-N 3.28Å; Q923-N928 PolarHBondContact O-N 3.5Å; Q923-L948 VanDerWaalsContact CD-CD2 3.43Å; Q923-L948 HydrophobicContact CG-CD2 3.59Å; Q923-I951 HydrophobicContact CB-CD1 4.36Å; Q923-I951 HydrophobicContact CG-CD1 4.36Å
924K78.1Confident73.3Confident135 Ų13556.4 Ų56.459%0.58728%0.284SS*.Iπ-helixtrans-65.4-29.9-180-73.9-174.4176.8-172.80113.9N920 I921 S929N920-K924 WeakPolarHBondContact O-CG 3.37Å; N920-K924 PolarHBondContact O-N 3.5Å; I921-K924 PolarHBondContact O-N 2.82Å; K924-S929 VanDerWaalsContact O-CA 3.23Å; K924-S929 WeakPolarHBondContact O-CA 3.24Å
925L75.3Confident73.3Confident73 Ų7356.5 Ų56.538%0.38229%0.285SS..Iπ-helixtrans-85.3-36.4-176.5-70.8175.4000113.7I921 I922 Q923I921-L925 HydrophobicContact CG2-CD1 3.73Å; I921-L925 HydrophobicContact CG2-CG 4.37Å; I921-L925 WeakPolarHBondContact O-CB 3.29Å; I921-L925 WeakPolarHBondContact O-CG 2.67Å; I921-L925 PolarHBondContact O-N 3.05Å; I922-L925 PolarHBondContact O-N 3.49Å; Q923-L925 VanDerWaalsContact C-N 3.32Å; Q923-L925 PolarHBondContact O-N 3.38Å
926F78.7Confident73.3Confident15 Ų1559 Ų597%0.06629%0.294CS..Iπ-helixtrans-119.5-32-168.5-62.3-76.8000114.7N880 F884 I922 R936 V937N880-F926 HydrophobicContact CB-CD1 4.47Å; N880-F926 HydrophobicContact CB-CE1 4.48Å; F884-F926 HydrophobicContact CB-CD1 3.99Å; F884-F926 HydrophobicContact CB-CE1 4.17Å; F884-F926 HydrophobicContact CB-CG 4.22Å; F884-F926 HydrophobicContact CD2-CB 3.64Å; F884-F926 HydrophobicContact CD2-CD1 4.3Å; F884-F926 AromaticContact CD2-CD2 3.86Å; F884-F926 HydrophobicContact CD2-CD2 3.86Å; F884-F926 AromaticContact CD2-CG 3.68Å; F884-F926 HydrophobicContact CD2-CG 3.68Å; F884-F926 HydrophobicContact CE2-CB 4.15Å; F884-F926 HydrophobicContact CG-CG 4.39Å; I922-F926 PolarHBondContact O-N 3.19Å; I922-F926 VanDerWaalsContact O-N 3.12Å; F926-R936 PolarHBondContact O-N 3.03Å; F926-V937 HydrophobicContact CB-CG1 4.04Å; F926-V937 HydrophobicContact CD1-CG1 3.92Å; F926-V937 HydrophobicContact CG-CG1 4.37Å
927L78.9Confident73.5Confident0 Ų052.7 Ų52.70%027%0.27CS..Iπ-helixtrans-103-39.6-171-62.4178.8000113F884 Q923 K934 L935 V937 K944 I947 F961F884-L927 HydrophobicContact CE2-CD2 4.47Å; Q923-L927 PolarHBondContact O-N 3.28Å; L927-K934 CarbonylContact C-O 3.54Å; L927-K934 VanDerWaalsContact O-O 3.12Å; L927-L935 HydrophobicContact CD2-CD1 3.94Å; L927-V937 HydrophobicContact CD2-CG2 4.05Å; L927-K944 HydrophobicContact CB-CG 4.25Å; L927-K944 HydrophobicContact CD2-CG 4.46Å; L927-K944 WeakPolarHBondContact O-CE 3.31Å; L927-K944 PolarHBondContact O-NZ 3.32Å; L927-I947 HydrophobicContact CD1-CB 4.31Å; L927-I947 HydrophobicContact CD1-CD1 4.23Å; L927-I947 HydrophobicContact CD1-CG2 3.69Å; L927-F961 HydrophobicContact CD1-CE1 4.39Å
928N75.8Confident73.7Confident52 Ų5251 Ų5128%0.27826%0.258SS..SBendtrans-134.269.3177.7-82.7-17.3000109.8Q923 K944Q923-N928 PolarHBondContact O-N 3.5Å; N928-K944 WeakPolarHBondContact OD1-CE 3.41Å; N928-K944 PolarHBondContact OD1-NZ 2.94Å
929S70.1Confident73.8Confident13 Ų1351.2 Ų51.29%0.09126%0.26CS..  trans-75.7136.9176.9-168.10000112.2K924 I931 K934 R936K924-S929 VanDerWaalsContact O-CA 3.23Å; K924-S929 WeakPolarHBondContact O-CA 3.24Å; S929-I931 PolarHBondContact O-N 3Å; S929-I931 VanDerWaalsContact O-N 3.15Å; S929-I931 PolarHBondContact OG-N 3.13Å; S929-K934 PolarHBondContact N-O 3.3Å; S929-R936 VanDerWaalsContact OG-CZ 3.22Å; S929-R936 PolarHBondContact OG-NE 3.04Å; S929-R936 PolarHBondContact OG-NH1 3.22Å
930D59.9Low73.9Confident147 Ų14753.2 Ų53.279%0.78627%0.274SS*.SBendtrans-64.5-12.5174-59.5-38000112.7
931I56.5Low73.9Confident107 Ų10754.4 Ų54.455%0.54928%0.277SS..SBendtrans-113120.6178.4-56.7163.7000108.6S929 R936S929-I931 PolarHBondContact O-N 3Å; S929-I931 VanDerWaalsContact O-N 3.15Å; S929-I931 PolarHBondContact OG-N 3.13Å; I931-R936 PolarHBondContact O-NE 3.31Å; I931-R936 PolarHBondContact O-NH2 3.24Å
932P49.3Very low73.9Confident67 Ų6756 Ų5644%0.43529%0.292SS..SBendtrans-62.9148.9-177.524.5-32.4000112.6
933P62.9Low73.9Confident41 Ų4158.1 Ų58.127%0.26630%0.302SS..SBendcis-70.1141-4.327.3-31000112.1F877 L935 R936F877-P933 HydrophobicContact CE1-CG 3.68Å; F877-P933 HydrophobicContact CZ-CB 4.32Å; F877-P933 HydrophobicContact CZ-CG 3.48Å; F877-P933 VanDerWaalsContact CZ-CG 3.48Å; P933-L935 VanDerWaalsContact C-N 3.28Å; P933-L935 PolarHBondContact O-N 3.14Å; P933-R936 WeakPolarHBondContact O-CG 3.4Å
934K66.9Low74.1Confident144 Ų14456.9 Ų56.963%0.62630%0.296SS*.SBendtrans-59-38.8-175.5-67.7-176.7178.7178.80112.1L927 S929L927-K934 CarbonylContact C-O 3.54Å; L927-K934 VanDerWaalsContact O-O 3.12Å; S929-K934 PolarHBondContact N-O 3.3Å
935L75.5Confident74.2Confident22 Ų2254.3 Ų54.312%0.11529%0.289CS..  trans-95.9120.8171-178.162.5000109.8L927 P933 V937 V939 E941 K944L927-L935 HydrophobicContact CD2-CD1 3.94Å; P933-L935 VanDerWaalsContact C-N 3.28Å; P933-L935 PolarHBondContact O-N 3.14Å; L935-V937 HydrophobicContact CD1-CG2 3.69Å; L935-V939 WeakPolarHBondContact CD2-O 3.46Å; L935-E941 WeakPolarHBondContact CD2-OE2 3.26Å; L935-K944 HydrophobicContact CD1-CD 4.23Å
936R77.8Confident74.6Confident59 Ų5953.6 Ų53.622%0.22329%0.294CS..  trans-113.26.6-171.8-66.7-177165.7-157.1-18.2114.6F877 N880 F926 S929 I931 P933F877-R936 VanDerWaalsContact CB-O 3.29Å; F877-R936 WeakPolarHBondContact CB-O 3.42Å; F877-R936 WeakPolarHBondContact CD1-O 3.32Å; F877-R936 VanDerWaalsContact CG-O 3.31Å; F877-R936 WeakPolarHBondContact CG-O 3.38Å; N880-R936 WeakPolarHBondContact CB-O 3.21Å; N880-R936 PolarHBondContact ND2-O 3.22Å; F926-R936 PolarHBondContact O-N 3.03Å; S929-R936 VanDerWaalsContact OG-CZ 3.22Å; S929-R936 PolarHBondContact OG-NE 3.04Å; S929-R936 PolarHBondContact OG-NH1 3.22Å; I931-R936 PolarHBondContact O-NE 3.31Å; I931-R936 PolarHBondContact O-NH2 3.24Å; P933-R936 WeakPolarHBondContact O-CG 3.4Å
937V82Confident74.7Confident2 Ų253.1 Ų53.11%0.01229%0.292CS..SBendtrans-126.5153.7-177.1-68.30000110.4N880 D881 F884 F926 L927 L935 V939N880-V937 HydrophobicContact CB-CG1 4.28Å; D881-V937 VanDerWaalsContact OD1-CA 3.29Å; D881-V937 WeakPolarHBondContact OD1-CA 3.42Å; D881-V937 WeakPolarHBondContact OD1-CB 3.36Å; F884-V937 HydrophobicContact CB-CG1 3.74Å; F884-V937 HydrophobicContact CD1-CG1 4.32Å; F884-V937 HydrophobicContact CD2-CG1 4.29Å; F884-V937 HydrophobicContact CG-CG1 3.87Å; F926-V937 HydrophobicContact CB-CG1 4.04Å; F926-V937 HydrophobicContact CD1-CG1 3.92Å; F926-V937 HydrophobicContact CG-CG1 4.37Å; L927-V937 HydrophobicContact CD2-CG2 4.05Å; L935-V937 HydrophobicContact CD1-CG2 3.69Å; V937-V939 HydrophobicContact CB-CG2 4.21Å; V937-V939 HydrophobicContact CG2-CB 4.07Å; V937-V939 HydrophobicContact CG2-CG2 3.68Å; V937-V939 PolarHBondContact O-N 3.37Å
938N81.4Confident74.8Confident15 Ų1554.6 Ų54.68%0.0830%0.299CS..SBendtrans-77.759.7179.9-74.8-63.6000112.3R871 T874 D881R871-N938 PolarHBondContact NH2-O 3.45Å; T874-N938 PolarHBondContact N-OD1 2.89Å; T874-N938 PolarHBondContact O-ND2 3.1Å; T874-N938 PolarHBondContact O-OD1 3.49Å; D881-N938 PolarHBondContact OD1-N 2.95Å; D881-N938 WeakPolarHBondContact OD2-CB 3.4Å; D881-N938 PolarHBondContact OD2-ND2 3.45Å
939V83.4Confident75Confident14 Ų1453.9 Ų53.99%0.08530%0.301CS..  trans-117.1155.3178.7-179.70000108.7L935 V937 Q943 A964 V968L935-V939 WeakPolarHBondContact CD2-O 3.46Å; V937-V939 HydrophobicContact CB-CG2 4.21Å; V937-V939 HydrophobicContact CG2-CB 4.07Å; V937-V939 HydrophobicContact CG2-CG2 3.68Å; V937-V939 PolarHBondContact O-N 3.37Å; V939-Q943 HydrophobicContact CG1-CB 3.52Å; V939-Q943 HydrophobicContact CG1-CG 4.46Å; V939-A964 HydrophobicContact CG1-CB 4.08Å; V939-A964 HydrophobicContact CG2-CB 4.02Å; V939-V968 HydrophobicContact CG2-CG2 3.64Å
940S81.5Confident75.5Confident45 Ų4554 Ų5432%0.31530%0.303SS..  trans-77.4149.3175.459.30000111.7S942 Q943 K944S940-S942 PolarHBondContact O-N 2.98Å; S940-S942 PolarHBondContact OG-OG 3.19Å; S940-S942 VanDerWaalsContact OG-OG 3.09Å; S940-Q943 VanDerWaalsContact N-OE1 3.13Å; S940-Q943 WeakPolarHBondContact O-CB 3.27Å; S940-Q943 PolarHBondContact O-N 3.3Å; S940-Q943 WeakPolarHBondContact OG-CB 3.42Å; S940-Q943 WeakPolarHBondContact OG-CG 3.44Å; S940-Q943 PolarHBondContact OG-N 2.98Å; S940-Q943 PolarHBondContact OG-OE1 3.19Å; S940-K944 PolarHBondContact O-N 3.44Å
941E78.1Confident76.2Confident95 Ų9548.3 Ų48.344%0.44427%0.272SS..Hα-helixtrans-58.2-38.2176.7-154.369.3-16000110.8L935 Q943 K944 D945L935-E941 WeakPolarHBondContact CD2-OE2 3.26Å; E941-Q943 VanDerWaalsContact C-N 3.31Å; E941-Q943 PolarHBondContact O-N 3Å; E941-K944 WeakPolarHBondContact O-CB 3.4Å; E941-K944 PolarHBondContact O-N 2.94Å; E941-K944 VanDerWaalsContact O-N 3.14Å; E941-K944 VanDerWaalsContact OE1-CD 3.26Å; E941-K944 WeakPolarHBondContact OE1-CD 3.04Å; E941-K944 WeakPolarHBondContact OE1-CE 3.2Å; E941-K944 IonicContact OE1-NZ 3.66Å; E941-K944 PolarHBondContact OE1-NZ 3.45Å; E941-D945 VanDerWaalsContact O-CG 3.25Å; E941-D945 PolarHBondContact O-N 3.44Å
942S79.4Confident77.1Confident84 Ų8449 Ų4959%0.58728%0.281SS*.Hα-helixtrans-60.4-34.5173.852.70000114.2S940 A946S940-S942 PolarHBondContact O-N 2.98Å; S940-S942 PolarHBondContact OG-OG 3.19Å; S940-S942 VanDerWaalsContact OG-OG 3.09Å; S942-A946 WeakPolarHBondContact O-CB 3.47Å; S942-A946 PolarHBondContact O-N 2.94Å
943Q82.1Confident78.4Confident51 Ų5152.1 Ų52.124%0.23829%0.29CS..Hα-helixtrans-76.4-35176.4-79165.4-29.700111.7V939 S940 E941 I947 G963 S967V939-Q943 HydrophobicContact CG1-CB 3.52Å; V939-Q943 HydrophobicContact CG1-CG 4.46Å; S940-Q943 VanDerWaalsContact N-OE1 3.13Å; S940-Q943 WeakPolarHBondContact O-CB 3.27Å; S940-Q943 PolarHBondContact O-N 3.3Å; S940-Q943 WeakPolarHBondContact OG-CB 3.42Å; S940-Q943 WeakPolarHBondContact OG-CG 3.44Å; S940-Q943 PolarHBondContact OG-N 2.98Å; S940-Q943 PolarHBondContact OG-OE1 3.19Å; E941-Q943 VanDerWaalsContact C-N 3.31Å; E941-Q943 PolarHBondContact O-N 3Å; Q943-I947 WeakPolarHBondContact O-CD1 3.35Å; Q943-I947 VanDerWaalsContact O-CG1 3.23Å; Q943-I947 WeakPolarHBondContact O-CG1 3.41Å; Q943-I947 PolarHBondContact O-N 3.39Å; Q943-G963 PolarHBondContact NE2-O 2.92Å; Q943-S967 PolarHBondContact NE2-OG 3.37Å; Q943-S967 PolarHBondContact OE1-OG 3.46Å
944K82.1Confident78.6Confident13 Ų1351.6 Ų51.66%0.05729%0.292CS..Hα-helixtrans-61.5-49170.9169.7-162165.6-1800109.8L927 N928 L935 S940 E941 A946 I947 L948L927-K944 HydrophobicContact CB-CG 4.25Å; L927-K944 HydrophobicContact CD2-CG 4.46Å; L927-K944 WeakPolarHBondContact O-CE 3.31Å; L927-K944 PolarHBondContact O-NZ 3.32Å; N928-K944 WeakPolarHBondContact OD1-CE 3.41Å; N928-K944 PolarHBondContact OD1-NZ 2.94Å; L935-K944 HydrophobicContact CD1-CD 4.23Å; S940-K944 PolarHBondContact O-N 3.44Å; E941-K944 WeakPolarHBondContact O-CB 3.4Å; E941-K944 PolarHBondContact O-N 2.94Å; E941-K944 VanDerWaalsContact O-N 3.14Å; E941-K944 VanDerWaalsContact OE1-CD 3.26Å; E941-K944 WeakPolarHBondContact OE1-CD 3.04Å; E941-K944 WeakPolarHBondContact OE1-CE 3.2Å; E941-K944 IonicContact OE1-NZ 3.66Å; E941-K944 PolarHBondContact OE1-NZ 3.45Å; K944-A946 VanDerWaalsContact C-N 3.33Å; K944-A946 PolarHBondContact O-N 3.19Å; K944-I947 WeakPolarHBondContact O-CB 3.38Å; K944-I947 PolarHBondContact O-N 3.48Å; K944-I947 VanDerWaalsContact O-N 3.12Å; K944-L948 HydrophobicContact CG-CD1 4.09Å; K944-L948 HydrophobicContact CG-CG 4.47Å; K944-L948 VanDerWaalsContact O-CG 3.28Å; K944-L948 WeakPolarHBondContact O-CG 3.4Å; K944-L948 PolarHBondContact O-N 3.41Å
945D81.5Confident79Confident82 Ų8250.9 Ų50.944%0.43929%0.286SS..Hα-helixtrans-63.9-38179.5-63.6-25.9000111.8E941 I947 L948 A949E941-D945 VanDerWaalsContact O-CG 3.25Å; E941-D945 PolarHBondContact O-N 3.44Å; D945-I947 PolarHBondContact O-N 2.89Å; D945-L948 PolarHBondContact O-N 3.39Å; D945-A949 WeakPolarHBondContact O-CB 3.37Å; D945-A949 PolarHBondContact O-N 2.85Å
946A82Confident78.8Confident58 Ų5850.9 Ų50.948%0.47929%0.286SS..Hα-helixtrans-63.6-38172.900000112.9S942 K944 A950S942-A946 WeakPolarHBondContact O-CB 3.47Å; S942-A946 PolarHBondContact O-N 2.94Å; K944-A946 VanDerWaalsContact C-N 3.33Å; K944-A946 PolarHBondContact O-N 3.19Å; A946-A950 WeakPolarHBondContact O-CB 2.97Å; A946-A950 PolarHBondContact O-N 3.04Å
947I81.3Confident78.7Confident4 Ų452.3 Ų52.32%0.02130%0.298CS..Hα-helixtrans-67.4-42.9173.9-70.5162.2000110.2L927 Q943 K944 D945 A950 I951 V960 F961 A964L927-I947 HydrophobicContact CD1-CB 4.31Å; L927-I947 HydrophobicContact CD1-CD1 4.23Å; L927-I947 HydrophobicContact CD1-CG2 3.69Å; Q943-I947 WeakPolarHBondContact O-CD1 3.35Å; Q943-I947 VanDerWaalsContact O-CG1 3.23Å; Q943-I947 WeakPolarHBondContact O-CG1 3.41Å; Q943-I947 PolarHBondContact O-N 3.39Å; K944-I947 WeakPolarHBondContact O-CB 3.38Å; K944-I947 PolarHBondContact O-N 3.48Å; K944-I947 VanDerWaalsContact O-N 3.12Å; D945-I947 PolarHBondContact O-N 2.89Å; I947-A950 PolarHBondContact O-N 2.84Å; I947-I951 HydrophobicContact CG2-CD1 3.72Å; I947-I951 HydrophobicContact CG2-CG1 4.4Å; I947-I951 WeakPolarHBondContact O-CD1 3.23Å; I947-I951 WeakPolarHBondContact O-CG1 3.48Å; I947-I951 PolarHBondContact O-N 2.91Å; I947-V960 WeakPolarHBondContact CG1-O 3.22Å; I947-V960 HydrophobicContact CG2-CG1 4.2Å; I947-F961 HydrophobicContact CD1-CD1 3.93Å; I947-F961 HydrophobicContact CD1-CE1 4.37Å; I947-F961 HydrophobicContact CG1-CD1 4.35Å; I947-F961 HydrophobicContact CG2-CD1 4.2Å; I947-F961 HydrophobicContact CG2-CE1 3.69Å; I947-F961 HydrophobicContact CG2-CZ 4.36Å; I947-A964 HydrophobicContact CD1-CB 3.79Å
948L80.8Confident78.5Confident31 Ų3158.8 Ų58.816%0.16232%0.323CS..Hα-helixtrans-62.1-43177-67.5175.8000111.8Q923 K944 D945 I951 T952Q923-L948 VanDerWaalsContact CD-CD2 3.43Å; Q923-L948 HydrophobicContact CG-CD2 3.59Å; K944-L948 HydrophobicContact CG-CD1 4.09Å; K944-L948 HydrophobicContact CG-CG 4.47Å; K944-L948 VanDerWaalsContact O-CG 3.28Å; K944-L948 WeakPolarHBondContact O-CG 3.4Å; K944-L948 PolarHBondContact O-N 3.41Å; D945-L948 PolarHBondContact O-N 3.39Å; L948-I951 WeakPolarHBondContact O-CB 3.26Å; L948-I951 PolarHBondContact O-N 3.48Å; L948-T952 PolarHBondContact O-N 2.91Å; L948-T952 PolarHBondContact O-OG1 2.98Å
949A81.1Confident78.4Confident38 Ų3861.9 Ų61.931%0.31435%0.345SS..Hα-helixtrans-62.3-47175.300000111.5D945 I951 T952 E953D945-A949 WeakPolarHBondContact O-CB 3.37Å; D945-A949 PolarHBondContact O-N 2.85Å; A949-I951 VanDerWaalsContact C-N 3.26Å; A949-I951 PolarHBondContact O-N 3.18Å; A949-T952 VanDerWaalsContact CA-OG1 3.31Å; A949-T952 WeakPolarHBondContact CA-OG1 3.17Å; A949-T952 PolarHBondContact O-N 3.17Å; A949-T952 VanDerWaalsContact O-N 3.14Å; A949-T952 PolarHBondContact O-OG1 3.13Å; A949-E953 WeakPolarHBondContact O-CB 3.39Å; A949-E953 VanDerWaalsContact O-CG 3.31Å; A949-E953 WeakPolarHBondContact O-CG 3.1Å; A949-E953 PolarHBondContact O-N 2.7Å
950A79.4Confident78.3Confident16 Ų1662 Ų6213%0.13235%0.346CS..Hα-helixtrans-61.3-34.4176.500000112.6A946 I947 G954 Y955 V960A946-A950 WeakPolarHBondContact O-CB 2.97Å; A946-A950 PolarHBondContact O-N 3.04Å; I947-A950 PolarHBondContact O-N 2.84Å; A950-G954 PolarHBondContact O-N 3.4Å; A950-G954 VanDerWaalsContact O-N 3.17Å; A950-Y955 PolarHBondContact O-N 2.95Å; A950-V960 HydrophobicContact CB-CG1 4.29Å; A950-V960 HydrophobicContact CB-CG2 4.49Å
951I76.1Confident78.3Confident26 Ų2660 Ų6013%0.13333%0.332CS..Hα-helixtrans-67-46.3173.9-68.3162.3000110.9M919 Q923 I947 L948 A949 E953 G954M919-I951 HydrophobicContact CE-CB 4.06Å; M919-I951 HydrophobicContact CE-CG1 3.39Å; M919-I951 HydrophobicContact CE-CG2 4.36Å; M919-I951 HydrophobicContact CG-CD1 4.07Å; M919-I951 HydrophobicContact CG-CG1 3.87Å; M919-I951 HydrophobicContact SD-CG1 4.12Å; Q923-I951 HydrophobicContact CB-CD1 4.36Å; Q923-I951 HydrophobicContact CG-CD1 4.36Å; I947-I951 HydrophobicContact CG2-CD1 3.72Å; I947-I951 HydrophobicContact CG2-CG1 4.4Å; I947-I951 WeakPolarHBondContact O-CD1 3.23Å; I947-I951 WeakPolarHBondContact O-CG1 3.48Å; I947-I951 PolarHBondContact O-N 2.91Å; L948-I951 WeakPolarHBondContact O-CB 3.26Å; L948-I951 PolarHBondContact O-N 3.48Å; A949-I951 VanDerWaalsContact C-N 3.26Å; A949-I951 PolarHBondContact O-N 3.18Å; I951-E953 VanDerWaalsContact C-N 3.3Å; I951-E953 PolarHBondContact O-N 3.43Å; I951-G954 PolarHBondContact O-N 2.72Å
952T75.5Confident78.5Confident121 Ų12160.3 Ų60.374%0.74233%0.333SS*.Hα-helixtrans-67.4-31.2179.347.80000112.9L948 A949 G954L948-T952 PolarHBondContact O-N 2.91Å; L948-T952 PolarHBondContact O-OG1 2.98Å; A949-T952 VanDerWaalsContact CA-OG1 3.31Å; A949-T952 WeakPolarHBondContact CA-OG1 3.17Å; A949-T952 PolarHBondContact O-N 3.17Å; A949-T952 VanDerWaalsContact O-N 3.14Å; A949-T952 PolarHBondContact O-OG1 3.13Å; T952-G954 VanDerWaalsContact C-N 3.29Å
953E75.9Confident78.6Confident134 Ų13457.8 Ų57.863%0.62632%0.32SS*.THydrogen-bonded Turntrans-80.6-9.1175.9-69.6171.5179.300112.8A949 I951 Y955A949-E953 WeakPolarHBondContact O-CB 3.39Å; A949-E953 VanDerWaalsContact O-CG 3.31Å; A949-E953 WeakPolarHBondContact O-CG 3.1Å; A949-E953 PolarHBondContact O-N 2.7Å; I951-E953 VanDerWaalsContact C-N 3.3Å; I951-E953 PolarHBondContact O-N 3.43Å; E953-Y955 HydrophobicContact CB-CD2 3.71Å; E953-Y955 HydrophobicContact CB-CE2 3.75Å; E953-Y955 VanDerWaalsContact OE2-CE2 3.29Å; E953-Y955 WeakPolarHBondContact OE2-CE2 3.24Å
954G67.9Low78.7Confident29 Ų2955.4 Ų55.430%0.29931%0.309SS..THydrogen-bonded Turntrans83.815.5173.400000115.4A950 I951 T952 L956A950-G954 PolarHBondContact O-N 3.4Å; A950-G954 VanDerWaalsContact O-N 3.17Å; I951-G954 PolarHBondContact O-N 2.72Å; T952-G954 VanDerWaalsContact C-N 3.29Å; G954-L956 PolarHBondContact O-N 3.49Å
955Y74.4Confident78.8Confident130 Ų13056.1 Ų56.151%0.5131%0.313SS..  trans-70.3120175.1-70.1-73.7000110.9M919 A950 E953 V960M919-Y955 VanDerWaalsContact CE-O 3.25Å; M919-Y955 WeakPolarHBondContact CE-O 3.18Å; A950-Y955 PolarHBondContact O-N 2.95Å; E953-Y955 HydrophobicContact CB-CD2 3.71Å; E953-Y955 HydrophobicContact CB-CE2 3.75Å; E953-Y955 VanDerWaalsContact OE2-CE2 3.29Å; E953-Y955 WeakPolarHBondContact OE2-CE2 3.24Å; Y955-V960 WeakPolarHBondContact O-CG2 3.36Å
956L71.4Confident78.9Confident21 Ų2157.1 Ų57.111%0.1132%0.317CS..  trans-116.132.2-176.5-68.3166.1000112.7V912 M915 R916 M919 G954V912-L956 HydrophobicContact CG1-CD1 3.59Å; M915-L956 HydrophobicContact CB-CD1 4.42Å; M915-L956 HydrophobicContact CB-CD2 4.03Å; R916-L956 HydrophobicContact CG-CD1 4.07Å; R916-L956 HydrophobicContact CG-CD2 3.9Å; M919-L956 HydrophobicContact CE-CD2 3.74Å; M919-L956 HydrophobicContact SD-CD2 4.25Å; G954-L956 PolarHBondContact O-N 3.49Å
957D75Confident78.9Confident90 Ų9055 Ų5548%0.48130%0.298SS..SBendtrans-96.8162.7-174.6-65.2-32.8000113S959 V960D957-S959 PolarHBondContact O-N 3.4Å; D957-V960 WeakPolarHBondContact O-CG2 3.4Å; D957-V960 PolarHBondContact O-N 2.84Å
958R77.9Confident79.1Confident138 Ų13854.8 Ų54.852%0.52130%0.297SS..THydrogen-bonded Turntrans-58.2-16.3174.9-61.1-175.8-173.4149.82.8113.5N892 V895 S896N892-R958 WeakPolarHBondContact OD1-CA 3.28Å; V895-R958 HydrophobicContact CB-CG 4.15Å; V895-R958 HydrophobicContact CG1-CG 3.81Å; S896-R958 PolarHBondContact OG-NE 2.87Å; S896-R958 VanDerWaalsContact OG-NE 3.12Å; S896-R958 PolarHBondContact OG-NH2 3.15Å
959S79.1Confident79.4Confident80 Ų8055.3 Ų55.356%0.55930%0.298SS*.THydrogen-bonded Turntrans-75.4-24.2-178.953.80000113.5D957 F961 H962D957-S959 PolarHBondContact O-N 3.4Å; S959-F961 VanDerWaalsContact C-N 3.31Å; S959-F961 PolarHBondContact O-N 3.43Å; S959-H962 VanDerWaalsContact O-CB 3.28Å; S959-H962 WeakPolarHBondContact O-CB 3.37Å; S959-H962 PolarHBondContact O-N 3.49Å; S959-H962 VanDerWaalsContact O-N 3.07Å
960V80.9Confident79.6Confident17 Ų1756.7 Ų56.710%0.10330%0.304CS..THydrogen-bonded Turntrans-54.4-46.4-173.3175.50000111.5M919 I947 A950 Y955 D957M919-V960 HydrophobicContact SD-CG1 4.12Å; I947-V960 WeakPolarHBondContact CG1-O 3.22Å; I947-V960 HydrophobicContact CG2-CG1 4.2Å; A950-V960 HydrophobicContact CB-CG1 4.29Å; A950-V960 HydrophobicContact CB-CG2 4.49Å; Y955-V960 WeakPolarHBondContact O-CG2 3.36Å; D957-V960 WeakPolarHBondContact O-CG2 3.4Å; D957-V960 PolarHBondContact O-N 2.84Å
961F82.6Confident79.8Confident1 Ų156.1 Ų56.10%0.00430%0.299CS..THydrogen-bonded Turntrans-95.91.2-177.5-63.7-73.7000114.3F884 M888 F891 M919 I922 L927 I947 S959 G963 A964 I965F884-F961 HydrophobicContact CZ-CD1 4.26Å; M888-F961 HydrophobicContact CE-CD1 4.42Å; M888-F961 HydrophobicContact CE-CE1 4.44Å; M888-F961 HydrophobicContact CG-CB 4.25Å; M888-F961 HydrophobicContact SD-CB 3.45Å; M888-F961 WeakPolarHBondContact SD-CB 3.27Å; M888-F961 HydrophobicContact SD-CD1 3.34Å; M888-F961 WeakPolarHBondContact SD-CD1 3.36Å; M888-F961 HydrophobicContact SD-CD2 3.62Å; M888-F961 HydrophobicContact SD-CE1 3.9Å; M888-F961 HydrophobicContact SD-CE2 4.15Å; M888-F961 HydrophobicContact SD-CG 3.16Å; M888-F961 WeakPolarHBondContact SD-CG 3.48Å; M888-F961 HydrophobicContact SD-CZ 4.27Å; F891-F961 AromaticContact CD1-CD2 3.82Å; F891-F961 HydrophobicContact CD1-CD2 3.82Å; F891-F961 AromaticContact CD1-CE2 3.85Å; F891-F961 HydrophobicContact CD1-CE2 3.85Å; F891-F961 AromaticContact CE1-CD2 3.94Å; F891-F961 HydrophobicContact CE1-CD2 3.94Å; F891-F961 AromaticContact CE1-CE2 3.81Å; F891-F961 HydrophobicContact CE1-CE2 3.81Å; F891-F961 HydrophobicContact CG-CE2 4.3Å; F891-F961 HydrophobicContact CZ-CE2 4.23Å; M919-F961 HydrophobicContact CG-CE2 4.11Å; M919-F961 HydrophobicContact CG-CZ 3.91Å; M919-F961 HydrophobicContact SD-CE2 4Å; M919-F961 HydrophobicContact SD-CZ 4.27Å; I922-F961 HydrophobicContact CG2-CE1 3.85Å; I922-F961 HydrophobicContact CG2-CZ 3.84Å; L927-F961 HydrophobicContact CD1-CE1 4.39Å; I947-F961 HydrophobicContact CD1-CD1 3.93Å; I947-F961 HydrophobicContact CD1-CE1 4.37Å; I947-F961 HydrophobicContact CG1-CD1 4.35Å; I947-F961 HydrophobicContact CG2-CD1 4.2Å; I947-F961 HydrophobicContact CG2-CE1 3.69Å; I947-F961 HydrophobicContact CG2-CZ 4.36Å; S959-F961 VanDerWaalsContact C-N 3.31Å; S959-F961 PolarHBondContact O-N 3.43Å; F961-G963 VanDerWaalsContact C-N 3.31Å; F961-G963 PolarHBondContact O-N 3.1Å; F961-A964 PolarHBondContact O-N 3.39Å; F961-A964 VanDerWaalsContact O-N 3.07Å; F961-I965 HydrophobicContact CB-CD1 4.2Å; F961-I965 HydrophobicContact CB-CG1 4.39Å; F961-I965 VanDerWaalsContact O-CG1 3.29Å; F961-I965 WeakPolarHBondContact O-CG1 3.34Å; F961-I965 PolarHBondContact O-N 3.24Å
962H82.1Confident80.3Confident102 Ų10255.1 Ų55.147%0.47229%0.294SS..Hα-helixtrans-56.9-43.5-173.7-179.5-92.2000112.4S959 A964 I965 M966S959-H962 VanDerWaalsContact O-CB 3.28Å; S959-H962 WeakPolarHBondContact O-CB 3.37Å; S959-H962 PolarHBondContact O-N 3.49Å; S959-H962 VanDerWaalsContact O-N 3.07Å; H962-A964 PolarHBondContact O-N 3.11Å; H962-I965 PolarHBondContact O-N 3.34Å; H962-M966 WeakPolarHBondContact NE2-CE 3.44Å; H962-M966 WeakPolarHBondContact O-CB 3.36Å; H962-M966 VanDerWaalsContact O-CG 3.28Å; H962-M966 WeakPolarHBondContact O-CG 3.33Å; H962-M966 PolarHBondContact O-N 3.38Å
963G82.1Confident80.9Confident31 Ų3149.6 Ų49.632%0.3226%0.26SS..Hα-helixtrans-62.2-39.817700000113.5Q943 F961 S967Q943-G963 PolarHBondContact NE2-O 2.92Å; F961-G963 VanDerWaalsContact C-N 3.31Å; F961-G963 PolarHBondContact O-N 3.1Å; G963-S967 PolarHBondContact O-N 2.95Å; G963-S967 PolarHBondContact O-OG 2.85Å
964A84.1Confident81.3Confident1 Ų145.3 Ų45.31%0.00824%0.238CC..Hα-helixtrans-72.1-40.5177.100000112F884 V939 I947 F961 H962 M966 S967 V968F884-A964 HydrophobicContact CE1-CB 3.83Å; F884-A964 HydrophobicContact CZ-CB 3.99Å; V939-A964 HydrophobicContact CG1-CB 4.08Å; V939-A964 HydrophobicContact CG2-CB 4.02Å; I947-A964 HydrophobicContact CD1-CB 3.79Å; F961-A964 PolarHBondContact O-N 3.39Å; F961-A964 VanDerWaalsContact O-N 3.07Å; H962-A964 PolarHBondContact O-N 3.11Å; A964-M966 PolarHBondContact O-N 3.18Å; A964-S967 WeakPolarHBondContact O-CB 3.35Å; A964-S967 PolarHBondContact O-N 3.22Å; A964-S967 VanDerWaalsContact O-N 3.07Å; A964-V968 WeakPolarHBondContact O-CG2 3.49Å; A964-V968 PolarHBondContact O-N 3.41Å
965I83.9Confident82.1Confident28 Ų2844 Ų4414%0.14422%0.224CC..Hα-helixtrans-57.5-48.6173.9-69.2168.5000110.2F885 M888 F961 H962 S967 V968 F969F885-I965 HydrophobicContact CD2-CG2 4.39Å; F885-I965 HydrophobicContact CE2-CG2 3.95Å; M888-I965 HydrophobicContact CB-CD1 3.9Å; M888-I965 HydrophobicContact CB-CG1 3.92Å; M888-I965 HydrophobicContact CG-CD1 4.32Å; M888-I965 HydrophobicContact CG-CG1 3.93Å; F961-I965 HydrophobicContact CB-CD1 4.2Å; F961-I965 HydrophobicContact CB-CG1 4.39Å; F961-I965 VanDerWaalsContact O-CG1 3.29Å; F961-I965 WeakPolarHBondContact O-CG1 3.34Å; F961-I965 PolarHBondContact O-N 3.24Å; H962-I965 PolarHBondContact O-N 3.34Å; I965-S967 PolarHBondContact O-N 3.02Å; I965-V968 PolarHBondContact O-N 3.22Å; I965-F969 WeakPolarHBondContact O-CB 3.41Å; I965-F969 PolarHBondContact O-N 3.22Å
966M83.2Confident82.8Confident103 Ų10338.1 Ų38.151%0.50720%0.201SC..Hα-helixtrans-63.3-23.9178.6-69.8-59.2172.700113H962 A964 P970H962-M966 WeakPolarHBondContact NE2-CE 3.44Å; H962-M966 WeakPolarHBondContact O-CB 3.36Å; H962-M966 VanDerWaalsContact O-CG 3.28Å; H962-M966 WeakPolarHBondContact O-CG 3.33Å; H962-M966 PolarHBondContact O-N 3.38Å; A964-M966 PolarHBondContact O-N 3.18Å; M966-P970 WeakPolarHBondContact O-CD 3.13Å; M966-P970 VanDerWaalsContact O-CG 3.32Å; M966-P970 WeakPolarHBondContact O-CG 3.4Å
967S81.9Confident83.5Confident13 Ų1342.4 Ų42.49%0.09122%0.219CC..Hα-helixtrans-84.9-37.7178.7-59.30000112.5R871 Q943 G963 A964 I965R871-S967 PolarHBondContact NH1-O 3.18Å; R871-S967 PolarHBondContact NH2-O 3.25Å; Q943-S967 PolarHBondContact NE2-OG 3.37Å; Q943-S967 PolarHBondContact OE1-OG 3.46Å; G963-S967 PolarHBondContact O-N 2.95Å; G963-S967 PolarHBondContact O-OG 2.85Å; A964-S967 WeakPolarHBondContact O-CB 3.35Å; A964-S967 PolarHBondContact O-N 3.22Å; A964-S967 VanDerWaalsContact O-N 3.07Å; I965-S967 PolarHBondContact O-N 3.02Å
968V86.3Confident83.9Confident0 Ų041 Ų410%021%0.207CC..Hα-helixtrans-87.4-38-175.9169.90000112.2D881 F884 F885 V939 A964 I965 V971 I972D881-V968 HydrophobicContact CB-CG1 3.67Å; D881-V968 WeakPolarHBondContact O-CG1 3.34Å; F884-V968 HydrophobicContact CD1-CG2 4.19Å; F884-V968 HydrophobicContact CE1-CG2 4.44Å; F885-V968 HydrophobicContact CB-CG1 4.21Å; V939-V968 HydrophobicContact CG2-CG2 3.64Å; A964-V968 WeakPolarHBondContact O-CG2 3.49Å; A964-V968 PolarHBondContact O-N 3.41Å; I965-V968 PolarHBondContact O-N 3.22Å; V968-V971 WeakPolarHBondContact O-CA 3.17Å; V968-V971 VanDerWaalsContact O-CB 3.32Å; V968-V971 WeakPolarHBondContact O-CB 3.4Å; V968-V971 PolarHBondContact O-N 3.38Å; V968-I972 HydrophobicContact CG1-CD1 3.65Å; V968-I972 HydrophobicContact CG1-CG1 4.08Å; V968-I972 PolarHBondContact O-N 3.17Å; V968-I972 VanDerWaalsContact O-N 3.11Å
969F86.5Confident84.3Confident42 Ų4234.4 Ų34.418%0.18418%0.182CC..Hα-helixtrans-55.1-44.5-176.6173.9-111.7000114.3F798 F802 F885 I965 V971 I972 M973F798-F969 AromaticContact CE1-CE1 3.86Å; F798-F969 HydrophobicContact CE1-CE1 3.86Å; F798-F969 AromaticContact CE1-CZ 3.78Å; F798-F969 HydrophobicContact CE1-CZ 3.78Å; F798-F969 AromaticContact CZ-CE1 3.44Å; F798-F969 HydrophobicContact CZ-CE1 3.44Å; F798-F969 VanDerWaalsContact CZ-CE1 3.44Å; F798-F969 AromaticContact CZ-CZ 3.44Å; F798-F969 HydrophobicContact CZ-CZ 3.44Å; F798-F969 VanDerWaalsContact CZ-CZ 3.44Å; F802-F969 AromaticContact CD2-CE2 3.67Å; F802-F969 HydrophobicContact CD2-CE2 3.67Å; F802-F969 HydrophobicContact CD2-CZ 4.08Å; F802-F969 AromaticContact CE2-CE2 3.61Å; F802-F969 HydrophobicContact CE2-CE2 3.61Å; F802-F969 HydrophobicContact CE2-CZ 4.33Å; F802-F969 HydrophobicContact CZ-CE2 4.46Å; F885-F969 HydrophobicContact CD2-CB 4.32Å; F885-F969 HydrophobicContact CE1-CD2 4.44Å; F885-F969 HydrophobicContact CE2-CB 3.81Å; F885-F969 AromaticContact CE2-CD2 3.62Å; F885-F969 HydrophobicContact CE2-CD2 3.62Å; F885-F969 HydrophobicContact CE2-CG 4.12Å; F885-F969 AromaticContact CZ-CD2 3.54Å; F885-F969 HydrophobicContact CZ-CD2 3.54Å; F885-F969 HydrophobicContact CZ-CE2 4.14Å; F885-F969 HydrophobicContact CZ-CG 4.45Å; I965-F969 WeakPolarHBondContact O-CB 3.41Å; I965-F969 PolarHBondContact O-N 3.22Å; F969-V971 VanDerWaalsContact C-N 3.26Å; F969-V971 PolarHBondContact O-N 3.17Å; F969-I972 PolarHBondContact O-N 3.43Å; F969-M973 HydrophobicContact CD2-CG 4Å; F969-M973 HydrophobicContact CE1-CG 4.33Å; F969-M973 HydrophobicContact CE2-CG 3.57Å; F969-M973 HydrophobicContact CE2-SD 4.08Å; F969-M973 HydrophobicContact CZ-CG 3.77Å; F969-M973 HydrophobicContact CZ-SD 4.45Å; F969-M973 WeakPolarHBondContact O-CG 3.27Å; F969-M973 PolarHBondContact O-N 3.17Å
970P85.3Confident84.6Confident68 Ų6833 Ų3344%0.44217%0.172SC..Hα-helixtrans-62.3-32.3176-23.535.3000113.4M966 Y974M966-P970 WeakPolarHBondContact O-CD 3.13Å; M966-P970 VanDerWaalsContact O-CG 3.32Å; M966-P970 WeakPolarHBondContact O-CG 3.4Å; P970-Y974 WeakPolarHBondContact O-CB 3.45Å; P970-Y974 PolarHBondContact O-N 3.33Å
971V84.3Confident84.7Confident4 Ų439.3 Ų39.32%0.02420%0.198CC..Hα-helixtrans-68.1-48.3178.2-178.20000110I873 V878 V968 F969 M973 Y974 F975I873-V971 HydrophobicContact CD1-CG1 3.89Å; I873-V971 HydrophobicContact CG2-CG1 4.44Å; I873-V971 HydrophobicContact CG2-CG2 3.94Å; V878-V971 HydrophobicContact CG2-CG1 4.29Å; V968-V971 WeakPolarHBondContact O-CA 3.17Å; V968-V971 VanDerWaalsContact O-CB 3.32Å; V968-V971 WeakPolarHBondContact O-CB 3.4Å; V968-V971 PolarHBondContact O-N 3.38Å; F969-V971 VanDerWaalsContact C-N 3.26Å; F969-V971 PolarHBondContact O-N 3.17Å; V971-M973 PolarHBondContact O-N 3.22Å; V971-Y974 WeakPolarHBondContact O-CB 3.2Å; V971-Y974 PolarHBondContact O-N 3.3Å; V971-F975 HydrophobicContact CG1-CD2 4.16Å; V971-F975 HydrophobicContact CG1-CE2 3.95Å; V971-F975 VanDerWaalsContact O-CD2 3.29Å; V971-F975 WeakPolarHBondContact O-CD2 3.34Å; V971-F975 PolarHBondContact O-N 3.08Å
972I86.9Confident84.8Confident4 Ų442 Ų422%0.02121%0.208CC..Hα-helixtrans-60.3-47.1177.3-64.1171.7000110.6Y805 L882 F885 V968 F969 Y974 F975 W976Y805-I972 HydrophobicContact CE2-CG2 3.72Å; L882-I972 HydrophobicContact CD1-CG2 4.15Å; F885-I972 HydrophobicContact CB-CD1 3.29Å; F885-I972 HydrophobicContact CD1-CD1 3.91Å; F885-I972 HydrophobicContact CD2-CD1 4.17Å; F885-I972 HydrophobicContact CG-CD1 3.53Å; V968-I972 HydrophobicContact CG1-CD1 3.65Å; V968-I972 HydrophobicContact CG1-CG1 4.08Å; V968-I972 PolarHBondContact O-N 3.17Å; V968-I972 VanDerWaalsContact O-N 3.11Å; F969-I972 PolarHBondContact O-N 3.43Å; I972-Y974 VanDerWaalsContact C-N 3.26Å; I972-Y974 PolarHBondContact O-N 2.86Å; I972-F975 PolarHBondContact O-N 3.4Å; I972-W976 WeakPolarHBondContact O-CB 3.32Å; I972-W976 PolarHBondContact O-N 3.02Å
973M86.9Confident85Confident5 Ų540.3 Ų40.33%0.02520%0.199CC..Hα-helixtrans-66.2-28.3-179-71.4-57.3-63.500113.1F798 F802 F969 V971 K977F798-M973 HydrophobicContact CD2-CE 4.32Å; F798-M973 HydrophobicContact CE2-CB 4.15Å; F798-M973 HydrophobicContact CE2-CE 3.84Å; F798-M973 HydrophobicContact CE2-CG 4.08Å; F798-M973 HydrophobicContact CZ-CE 4.24Å; F798-M973 HydrophobicContact CZ-CG 4.08Å; F802-M973 HydrophobicContact CB-CE 4.14Å; F802-M973 HydrophobicContact CD2-SD 3.96Å; F969-M973 HydrophobicContact CD2-CG 4Å; F969-M973 HydrophobicContact CE1-CG 4.33Å; F969-M973 HydrophobicContact CE2-CG 3.57Å; F969-M973 HydrophobicContact CE2-SD 4.08Å; F969-M973 HydrophobicContact CZ-CG 3.77Å; F969-M973 HydrophobicContact CZ-SD 4.45Å; F969-M973 WeakPolarHBondContact O-CG 3.27Å; F969-M973 PolarHBondContact O-N 3.17Å; V971-M973 PolarHBondContact O-N 3.22Å; M973-K977 WeakPolarHBondContact O-CG 2.76Å; M973-K977 PolarHBondContact O-N 3.42Å
974Y85Confident85Confident44 Ų4441.6 Ų41.617%0.17321%0.207CC..Hα-helixtrans-63.8-51.8171.8171.1-100.4000111.4V867 F868 P970 V971 I972 W976 K977 R978V867-Y974 HydrophobicContact CG1-CD1 3.92Å; V867-Y974 HydrophobicContact CG1-CD2 3.74Å; V867-Y974 HydrophobicContact CG1-CE1 4.28Å; V867-Y974 HydrophobicContact CG1-CE2 4.12Å; V867-Y974 HydrophobicContact CG1-CG 3.63Å; V867-Y974 HydrophobicContact CG2-CD1 3.89Å; V867-Y974 HydrophobicContact CG2-CE1 3.77Å; V867-Y974 HydrophobicContact CG2-CG 4.46Å; F868-Y974 HydrophobicContact CD2-CE2 4.36Å; P970-Y974 WeakPolarHBondContact O-CB 3.45Å; P970-Y974 PolarHBondContact O-N 3.33Å; V971-Y974 WeakPolarHBondContact O-CB 3.2Å; V971-Y974 PolarHBondContact O-N 3.3Å; I972-Y974 VanDerWaalsContact C-N 3.26Å; I972-Y974 PolarHBondContact O-N 2.86Å; Y974-W976 VanDerWaalsContact C-N 3.34Å; Y974-W976 PolarHBondContact O-N 3.14Å; Y974-K977 PolarHBondContact O-N 3.26Å; Y974-R978 PolarHBondContact O-N 2.91Å; Y974-R978 PolarHBondContact OH-NH1 3.09Å
975F85.4Confident84.8Confident1 Ų143.4 Ų43.40%0.00422%0.218CC..Hα-helixtrans-68.2-33.6178.4-73.7-77.9000112.7F818 L822 E825 I873 V878 V971 I972 K977 R978 F979F818-F975 HydrophobicContact CZ-CB 4.28Å; L822-F975 HydrophobicContact CD2-CB 3.56Å; L822-F975 HydrophobicContact CD2-CD1 3.87Å; L822-F975 HydrophobicContact CD2-CD2 4.42Å; L822-F975 HydrophobicContact CD2-CG 3.71Å; E825-F975 HydrophobicContact CB-CE1 4.3Å; I873-F975 HydrophobicContact CD1-CE2 3.51Å; I873-F975 HydrophobicContact CD1-CZ 3.77Å; V878-F975 HydrophobicContact CB-CE2 4.19Å; V878-F975 HydrophobicContact CG1-CD2 3.48Å; V878-F975 VanDerWaalsContact CG1-CD2 3.48Å; V878-F975 HydrophobicContact CG1-CE2 3.59Å; V878-F975 HydrophobicContact CG1-CG 4.09Å; V878-F975 HydrophobicContact CG1-CZ 4.27Å; V878-F975 HydrophobicContact CG2-CD2 4.24Å; V878-F975 HydrophobicContact CG2-CE2 3.48Å; V878-F975 VanDerWaalsContact CG2-CE2 3.48Å; V878-F975 HydrophobicContact CG2-CZ 3.92Å; V971-F975 HydrophobicContact CG1-CD2 4.16Å; V971-F975 HydrophobicContact CG1-CE2 3.95Å; V971-F975 VanDerWaalsContact O-CD2 3.29Å; V971-F975 WeakPolarHBondContact O-CD2 3.34Å; V971-F975 PolarHBondContact O-N 3.08Å; I972-F975 PolarHBondContact O-N 3.4Å; F975-K977 PolarHBondContact O-N 2.84Å; F975-R978 PolarHBondContact O-N 3.43Å; F975-F979 WeakPolarHBondContact O-CB 2.85Å; F975-F979 PolarHBondContact O-N 3.2Å
976W88.3Confident84.5Confident7 Ų747.8 Ų47.83%0.02723%0.233CC..Hα-helixtrans-59.1-45.3174.6176.2-112.8000112.5S801 Y805 F808 M809 F818 I972 Y974 R978 F979 C980S801-W976 PolarHBondContact O-NE1 3.2Å; S801-W976 VanDerWaalsContact O-NE1 3.11Å; Y805-W976 HydrophobicContact CD2-CB 4.33Å; Y805-W976 AromaticContact CD2-CD2 3.7Å; Y805-W976 HydrophobicContact CD2-CD2 3.7Å; Y805-W976 AromaticContact CD2-CE3 3.81Å; Y805-W976 HydrophobicContact CD2-CE3 3.81Å; Y805-W976 AromaticContact CD2-CG 3.91Å; Y805-W976 HydrophobicContact CD2-CG 3.91Å; Y805-W976 HydrophobicContact CD2-CZ3 4.43Å; Y805-W976 HydrophobicContact CG-CD2 4.35Å; Y805-W976 HydrophobicContact CG-CG 4.5Å; F808-W976 HydrophobicContact CB-CH2 3.55Å; F808-W976 HydrophobicContact CB-CZ2 4.24Å; F808-W976 HydrophobicContact CB-CZ3 4.3Å; F808-W976 AromaticContact CD1-CH2 3.49Å; F808-W976 HydrophobicContact CD1-CH2 3.49Å; F808-W976 VanDerWaalsContact CD1-CH2 3.49Å; F808-W976 AromaticContact CD1-CZ3 3.53Å; F808-W976 HydrophobicContact CD1-CZ3 3.53Å; F808-W976 HydrophobicContact CD2-CH2 4.01Å; F808-W976 HydrophobicContact CE1-CH2 4.09Å; F808-W976 AromaticContact CE1-CZ3 3.92Å; F808-W976 HydrophobicContact CE1-CZ3 3.92Å; F808-W976 AromaticContact CG-CH2 3.43Å; F808-W976 HydrophobicContact CG-CH2 3.43Å; F808-W976 VanDerWaalsContact CG-CH2 3.43Å; F808-W976 HydrophobicContact CG-CZ2 4.48Å; F808-W976 AromaticContact CG-CZ3 3.99Å; F808-W976 HydrophobicContact CG-CZ3 3.99Å; M809-W976 HydrophobicContact CE-CE3 4.23Å; M809-W976 HydrophobicContact CE-CZ3 4.17Å; F818-W976 HydrophobicContact CD2-CE3 4Å; F818-W976 HydrophobicContact CD2-CZ3 4.34Å; F818-W976 HydrophobicContact CE2-CB 4.47Å; F818-W976 AromaticContact CE2-CE3 3.94Å; F818-W976 HydrophobicContact CE2-CE3 3.94Å; F818-W976 HydrophobicContact CG-CE3 4.37Å; F818-W976 HydrophobicContact CG-CZ3 4.47Å; F818-W976 HydrophobicContact CZ-CB 4.27Å; F818-W976 HydrophobicContact CZ-CE3 4.22Å; I972-W976 WeakPolarHBondContact O-CB 3.32Å; I972-W976 PolarHBondContact O-N 3.02Å; Y974-W976 VanDerWaalsContact C-N 3.34Å; Y974-W976 PolarHBondContact O-N 3.14Å; W976-R978 VanDerWaalsContact C-N 3.34Å; W976-R978 PolarHBondContact O-N 3.4Å; W976-F979 AromaticContact CE3-CD1 3.9Å; W976-F979 HydrophobicContact CE3-CD1 3.9Å; W976-F979 HydrophobicContact CH2-CD1 4.27Å; W976-F979 HydrophobicContact CH2-CE1 4.28Å; W976-F979 AromaticContact CZ3-CD1 3.6Å; W976-F979 HydrophobicContact CZ3-CD1 3.6Å; W976-F979 AromaticContact CZ3-CE1 3.79Å; W976-F979 HydrophobicContact CZ3-CE1 3.79Å; W976-F979 PolarHBondContact O-N 3.48Å; W976-C980 VanDerWaalsContact CE2-SG 3.53Å; W976-C980 PolarHBondContact O-N 2.88Å; W976-C980 PolarHBondContact O-SG 3.22Å
977K85.8Confident84.2Confident111 Ų11145.9 Ų45.948%0.48323%0.23SC..Hα-helixtrans-63.9-40.1176.8-75.8-179.8179.1179.40112M973 Y974 F975 C980 F981M973-K977 WeakPolarHBondContact O-CG 2.76Å; M973-K977 PolarHBondContact O-N 3.42Å; Y974-K977 PolarHBondContact O-N 3.26Å; F975-K977 PolarHBondContact O-N 2.84Å; K977-C980 PolarHBondContact O-N 2.86Å; K977-F981 PolarHBondContact O-N 3.46Å
978R83.4Confident83.9Confident60 Ų6051.2 Ų51.223%0.22625%0.248CC..Hα-helixtrans-67.5-40.3176.7-68.2-177.963.1117-3.7112.1Y821 E825 E831 Y974 F975 W976 C980 F981 W982Y821-R978 WeakPolarHBondContact OH-CB 3.37Å; E825-R978 IonicContact OE1-CZ 3.93Å; E825-R978 IonicContact OE1-NE 3.69Å; E825-R978 PolarHBondContact OE1-NE 3.04Å; E825-R978 IonicContact OE1-NH2 3.71Å; E825-R978 PolarHBondContact OE1-NH2 2.89Å; E825-R978 VanDerWaalsContact OE1-NH2 3.12Å; E831-R978 VanDerWaalsContact CD-NH2 3.33Å; E831-R978 IonicContact OE1-CZ 2.83Å; E831-R978 IonicContact OE1-NH1 2.91Å; E831-R978 IonicContact OE1-NH2 3.7Å; E831-R978 PolarHBondContact OE1-NH2 3.2Å; E831-R978 IonicContact OE2-CZ 3.68Å; E831-R978 IonicContact OE2-NH1 3.02Å; E831-R978 PolarHBondContact OE2-NH1 3.38Å; E831-R978 IonicContact OE2-NH2 3.22Å; E831-R978 PolarHBondContact OE2-NH2 2.93Å; Y974-R978 PolarHBondContact O-N 2.91Å; Y974-R978 PolarHBondContact OH-NH1 3.09Å; F975-R978 PolarHBondContact O-N 3.43Å; W976-R978 VanDerWaalsContact C-N 3.34Å; W976-R978 PolarHBondContact O-N 3.4Å; R978-C980 VanDerWaalsContact C-N 3.35Å; R978-C980 PolarHBondContact O-N 3.49Å; R978-F981 PolarHBondContact O-N 2.86Å; R978-W982 VanDerWaalsContact O-CB 3.32Å; R978-W982 WeakPolarHBondContact O-CB 3.28Å; R978-W982 PolarHBondContact O-N 3.44Å
979F87.6Confident83Confident1 Ų153.2 Ų53.20%0.00426%0.259CS..Hα-helixtrans-59.2-45.8171.9171.5-109.1000111.6F808 E817 F818 Y821 F975 W976 F981 W982 K983F808-F979 AromaticContact CE1-CE1 3.67Å; F808-F979 HydrophobicContact CE1-CE1 3.67Å; F808-F979 HydrophobicContact CE1-CZ 4.02Å; F808-F979 HydrophobicContact CE2-CE1 4.44Å; F808-F979 AromaticContact CZ-CE1 3.62Å; F808-F979 HydrophobicContact CZ-CE1 3.62Å; F808-F979 AromaticContact CZ-CZ 3.8Å; F808-F979 HydrophobicContact CZ-CZ 3.8Å; E817-F979 HydrophobicContact CB-CZ 4.26Å; F818-F979 HydrophobicContact CB-CE1 4.36Å; F818-F979 HydrophobicContact CB-CZ 4.31Å; F818-F979 HydrophobicContact CD2-CB 3.61Å; F818-F979 AromaticContact CD2-CD1 3.67Å; F818-F979 HydrophobicContact CD2-CD1 3.67Å; F818-F979 AromaticContact CD2-CD2 3.93Å; F818-F979 HydrophobicContact CD2-CD2 3.93Å; F818-F979 HydrophobicContact CD2-CE1 4.26Å; F818-F979 HydrophobicContact CD2-CE2 4.47Å; F818-F979 AromaticContact CD2-CG 3.47Å; F818-F979 HydrophobicContact CD2-CG 3.47Å; F818-F979 VanDerWaalsContact CD2-CG 3.47Å; F818-F979 HydrophobicContact CE2-CB 3.61Å; F818-F979 HydrophobicContact CE2-CD1 4.33Å; F818-F979 HydrophobicContact CE2-CG 4.01Å; Y821-F979 HydrophobicContact CD1-CB 3.71Å; Y821-F979 AromaticContact CD1-CD2 3.86Å; Y821-F979 HydrophobicContact CD1-CD2 3.86Å; Y821-F979 HydrophobicContact CD1-CG 4.23Å; Y821-F979 HydrophobicContact CD2-CD2 4Å; Y821-F979 HydrophobicContact CE1-CB 3.73Å; Y821-F979 HydrophobicContact CG-CB 4.21Å; Y821-F979 AromaticContact CG-CD2 3.54Å; Y821-F979 HydrophobicContact CG-CD2 3.54Å; Y821-F979 HydrophobicContact CG-CE2 4.4Å; Y821-F979 HydrophobicContact CG-CG 4.34Å; F975-F979 WeakPolarHBondContact O-CB 2.85Å; F975-F979 PolarHBondContact O-N 3.2Å; W976-F979 AromaticContact CE3-CD1 3.9Å; W976-F979 HydrophobicContact CE3-CD1 3.9Å; W976-F979 HydrophobicContact CH2-CD1 4.27Å; W976-F979 HydrophobicContact CH2-CE1 4.28Å; W976-F979 AromaticContact CZ3-CD1 3.6Å; W976-F979 HydrophobicContact CZ3-CD1 3.6Å; W976-F979 AromaticContact CZ3-CE1 3.79Å; W976-F979 HydrophobicContact CZ3-CE1 3.79Å; W976-F979 PolarHBondContact O-N 3.48Å; F979-F981 VanDerWaalsContact C-N 3.29Å; F979-F981 PolarHBondContact O-N 3.32Å; F979-W982 HydrophobicContact CD2-CE3 4.07Å; F979-W982 HydrophobicContact CD2-CZ3 4.35Å; F979-W982 HydrophobicContact CE2-CE3 4.19Å; F979-W982 HydrophobicContact CE2-CZ3 4.06Å; F979-W982 PolarHBondContact O-N 3.19Å; F979-K983 HydrophobicContact CE1-CD 4.15Å; F979-K983 HydrophobicContact CZ-CD 3.91Å; F979-K983 VanDerWaalsContact O-CB 3.23Å; F979-K983 WeakPolarHBondContact O-CB 3.22Å; F979-K983 PolarHBondContact O-N 3.07Å
980C84.6Confident82.2Confident51 Ų5156.8 Ų56.835%0.34528%0.276SS..Hα-helixtrans-58.6-41.9176.3-68.50000111.8W976 K977 R978 A984W976-C980 VanDerWaalsContact CE2-SG 3.53Å; W976-C980 PolarHBondContact O-N 2.88Å; W976-C980 PolarHBondContact O-SG 3.22Å; K977-C980 PolarHBondContact O-N 2.86Å; R978-C980 VanDerWaalsContact C-N 3.35Å; R978-C980 PolarHBondContact O-N 3.49Å; C980-A984 VanDerWaalsContact O-CB 3.27Å; C980-A984 WeakPolarHBondContact O-CB 3.35Å; C980-A984 PolarHBondContact O-N 3.31Å
981F83.6Confident81.5Confident148 Ų14863.2 Ų63.265%0.64929%0.293SS*.Hα-helixtrans-68.4-44.5176.1178.8-96.9000112.4K977 R978 F979 A984 T985K977-F981 PolarHBondContact O-N 3.46Å; R978-F981 PolarHBondContact O-N 2.86Å; F979-F981 VanDerWaalsContact C-N 3.29Å; F979-F981 PolarHBondContact O-N 3.32Å; F981-A984 PolarHBondContact O-N 3.5Å; F981-T985 WeakPolarHBondContact CE1-OG1 3.44Å; F981-T985 VanDerWaalsContact O-CB 3.25Å; F981-T985 WeakPolarHBondContact O-CB 3.44Å; F981-T985 PolarHBondContact O-N 2.83Å; F981-T985 PolarHBondContact O-OG1 2.96Å
982W84.3Confident80.6Confident58 Ų5870.3 Ų70.322%0.2232%0.319CS..Hα-helixtrans-60.5-46.1176.8173.689.1000111Y821 R978 F979 T985 R986Y821-W982 HydrophobicContact CD2-CB 4.31Å; Y821-W982 AromaticContact CD2-CD2 3.74Å; Y821-W982 HydrophobicContact CD2-CD2 3.74Å; Y821-W982 AromaticContact CD2-CE3 3.86Å; Y821-W982 HydrophobicContact CD2-CE3 3.86Å; Y821-W982 AromaticContact CD2-CG 3.94Å; Y821-W982 HydrophobicContact CD2-CG 3.94Å; Y821-W982 HydrophobicContact CD2-CZ3 4.39Å; Y821-W982 HydrophobicContact CE2-CB 3.68Å; Y821-W982 AromaticContact CE2-CD2 3.97Å; Y821-W982 HydrophobicContact CE2-CD2 3.97Å; Y821-W982 HydrophobicContact CE2-CE3 4.4Å; Y821-W982 AromaticContact CE2-CG 3.64Å; Y821-W982 HydrophobicContact CE2-CG 3.64Å; R978-W982 VanDerWaalsContact O-CB 3.32Å; R978-W982 WeakPolarHBondContact O-CB 3.28Å; R978-W982 PolarHBondContact O-N 3.44Å; F979-W982 HydrophobicContact CD2-CE3 4.07Å; F979-W982 HydrophobicContact CD2-CZ3 4.35Å; F979-W982 HydrophobicContact CE2-CE3 4.19Å; F979-W982 HydrophobicContact CE2-CZ3 4.06Å; F979-W982 PolarHBondContact O-N 3.19Å; W982-T985 PolarHBondContact O-N 2.81Å; W982-R986 VanDerWaalsContact O-CB 3.26Å; W982-R986 WeakPolarHBondContact O-CB 3.36Å; W982-R986 PolarHBondContact O-N 2.68Å
983K85.3Confident78.9Confident66 Ų6672.4 Ų72.429%0.28734%0.342SS..Hα-helixtrans-62.6-47.1177.1-173.7165.3-177.9158.20111.1E817 F979 T985 R986 S987E817-K983 IonicContact OE2-NZ 3.78Å; E817-K983 PolarHBondContact OE2-NZ 3.31Å; F979-K983 HydrophobicContact CE1-CD 4.15Å; F979-K983 HydrophobicContact CZ-CD 3.91Å; F979-K983 VanDerWaalsContact O-CB 3.23Å; F979-K983 WeakPolarHBondContact O-CB 3.22Å; F979-K983 PolarHBondContact O-N 3.07Å; K983-T985 PolarHBondContact O-N 3.4Å; K983-R986 PolarHBondContact O-N 3.08Å; K983-S987 WeakPolarHBondContact O-CB 3.09Å; K983-S987 PolarHBondContact O-N 2.99Å; K983-S987 PolarHBondContact O-OG 2.89Å; K983-S987 VanDerWaalsContact O-OG 3.06Å
984A82.8Confident77.6Confident59 Ų5978.8 Ų78.849%0.48837%0.37SS..Hα-helixtrans-62.8-40.8176.300000112.5C980 F981 S987 Y988C980-A984 VanDerWaalsContact O-CB 3.27Å; C980-A984 WeakPolarHBondContact O-CB 3.35Å; C980-A984 PolarHBondContact O-N 3.31Å; F981-A984 PolarHBondContact O-N 3.5Å; A984-S987 PolarHBondContact O-N 3.04Å; A984-Y988 VanDerWaalsContact O-CB 3.23Å; A984-Y988 WeakPolarHBondContact O-CB 3.32Å; A984-Y988 PolarHBondContact O-N 2.88Å
985T79.7Confident75.9Confident38 Ų3884.4 Ų84.423%0.23340%0.395CS..Hα-helixtrans-68-41.6178.3-58.20000111.1F981 W982 K983 Y988 L989F981-T985 WeakPolarHBondContact CE1-OG1 3.44Å; F981-T985 VanDerWaalsContact O-CB 3.25Å; F981-T985 WeakPolarHBondContact O-CB 3.44Å; F981-T985 PolarHBondContact O-N 2.83Å; F981-T985 PolarHBondContact O-OG1 2.96Å; W982-T985 PolarHBondContact O-N 2.81Å; K983-T985 PolarHBondContact O-N 3.4Å; T985-Y988 PolarHBondContact O-N 3.39Å; T985-L989 HydrophobicContact CG2-CD1 3.7Å; T985-L989 HydrophobicContact CG2-CG 4.3Å; T985-L989 VanDerWaalsContact O-CB 3.3Å; T985-L989 WeakPolarHBondContact O-CB 3.5Å; T985-L989 VanDerWaalsContact O-CG 3.24Å; T985-L989 WeakPolarHBondContact O-CG 3.21Å; T985-L989 PolarHBondContact O-N 2.88Å
986R77.1Confident74Confident121 Ų12189.5 Ų89.546%0.45742%0.418SS..Hα-helixtrans-62.4-47.8174.6-175.7175.2174.4172-1.4110.8W982 K983 Y988 L989 Q990W982-R986 VanDerWaalsContact O-CB 3.26Å; W982-R986 WeakPolarHBondContact O-CB 3.36Å; W982-R986 PolarHBondContact O-N 2.68Å; K983-R986 PolarHBondContact O-N 3.08Å; R986-Y988 PolarHBondContact O-N 3Å; R986-L989 PolarHBondContact O-N 3.42Å; R986-Q990 VanDerWaalsContact O-CB 3.27Å; R986-Q990 WeakPolarHBondContact O-CB 3.37Å; R986-Q990 VanDerWaalsContact O-CG 3.23Å; R986-Q990 WeakPolarHBondContact O-CG 3.34Å; R986-Q990 PolarHBondContact O-N 2.93Å
987S78.1Confident71.9Confident63 Ų6398.4 Ų98.444%0.44146%0.457SS..Hα-helixtrans-63.1-39.5175.7-61.30000112.5K983 A984 Y991K983-S987 WeakPolarHBondContact O-CB 3.09Å; K983-S987 PolarHBondContact O-N 2.99Å; K983-S987 PolarHBondContact O-OG 2.89Å; K983-S987 VanDerWaalsContact O-OG 3.06Å; A984-S987 PolarHBondContact O-N 3.04Å; S987-Y991 WeakPolarHBondContact O-CB 3.43Å; S987-Y991 PolarHBondContact O-N 2.67Å
988Y74.2Confident69.6Low124 Ų12498.7 Ų98.749%0.48646%0.463SS..Hα-helixtrans-67.7-41.3176.9-179.8-98.2000112.6A984 T985 R986 Y991 R992A984-Y988 VanDerWaalsContact O-CB 3.23Å; A984-Y988 WeakPolarHBondContact O-CB 3.32Å; A984-Y988 PolarHBondContact O-N 2.88Å; T985-Y988 PolarHBondContact O-N 3.39Å; R986-Y988 PolarHBondContact O-N 3Å; Y988-Y991 PolarHBondContact O-N 3.11Å; Y988-R992 HydrophobicContact CD1-CG 4.44Å; Y988-R992 HydrophobicContact CE1-CG 3.93Å; Y988-R992 HydrophobicContact CE2-CG 4.49Å; Y988-R992 WeakPolarHBondContact O-CB 3.46Å; Y988-R992 PolarHBondContact O-N 2.69Å; Y988-R992 PolarHBondContact OH-NE 3.4Å; Y988-R992 VanDerWaalsContact OH-NE 3.07Å; Y988-R992 PolarHBondContact OH-NH2 3.45Å
989L67.9Low67.7Low42 Ų42104.8 Ų104.822%0.2249%0.486CS..Hα-helixtrans-73.2-35.7178.6-71.4171.2000112.1T985 R986 R992 G993 K994 F996T985-L989 HydrophobicContact CG2-CD1 3.7Å; T985-L989 HydrophobicContact CG2-CG 4.3Å; T985-L989 VanDerWaalsContact O-CB 3.3Å; T985-L989 WeakPolarHBondContact O-CB 3.5Å; T985-L989 VanDerWaalsContact O-CG 3.24Å; T985-L989 WeakPolarHBondContact O-CG 3.21Å; T985-L989 PolarHBondContact O-N 2.88Å; R986-L989 PolarHBondContact O-N 3.42Å; L989-R992 CarbonylContact O-C 3.58Å; L989-R992 PolarHBondContact O-N 3.46Å; L989-G993 PolarHBondContact O-N 3.4Å; L989-G993 VanDerWaalsContact O-N 3.17Å; L989-K994 HydrophobicContact CD2-CB 4.4Å; L989-K994 PolarHBondContact O-N 3.32Å; L989-F996 HydrophobicContact CD1-CD2 3.52Å; L989-F996 HydrophobicContact CD1-CE2 3.91Å
990Q70.7Confident65.1Low117 Ų117113.7 Ų113.755%0.54753%0.525SS..Hα-helixtrans-59.5-46.3167.5-78.6174.7-24.900110.9R986 R992 G993R986-Q990 VanDerWaalsContact O-CB 3.27Å; R986-Q990 WeakPolarHBondContact O-CB 3.37Å; R986-Q990 VanDerWaalsContact O-CG 3.23Å; R986-Q990 WeakPolarHBondContact O-CG 3.34Å; R986-Q990 PolarHBondContact O-N 2.93Å; Q990-R992 VanDerWaalsContact C-N 3.31Å; Q990-R992 PolarHBondContact O-N 3.21Å; Q990-G993 PolarHBondContact O-N 2.88Å
991Y70.2Confident62.4Low203 Ų203116 Ų11680%0.79654%0.542SS*.Hα-helixtrans-63.3-34175.2178.4-99000113.1S987 Y988 G993S987-Y991 WeakPolarHBondContact O-CB 3.43Å; S987-Y991 PolarHBondContact O-N 2.67Å; Y988-Y991 PolarHBondContact O-N 3.11Å; Y991-G993 VanDerWaalsContact C-N 3.32Å; Y991-G993 PolarHBondContact O-N 2.96Å
992R65.1Low59.9Low153 Ų153113.2 Ų113.258%0.57754%0.538SS*.THydrogen-bonded Turntrans-81.50.4177.7-87.4-107.5-172.2-172-1.4114.6Y988 L989 Q990 K994Y988-R992 HydrophobicContact CD1-CG 4.44Å; Y988-R992 HydrophobicContact CE1-CG 3.93Å; Y988-R992 HydrophobicContact CE2-CG 4.49Å; Y988-R992 WeakPolarHBondContact O-CB 3.46Å; Y988-R992 PolarHBondContact O-N 2.69Å; Y988-R992 PolarHBondContact OH-NE 3.4Å; Y988-R992 VanDerWaalsContact OH-NE 3.07Å; Y988-R992 PolarHBondContact OH-NH2 3.45Å; L989-R992 CarbonylContact O-C 3.58Å; L989-R992 PolarHBondContact O-N 3.46Å; Q990-R992 VanDerWaalsContact C-N 3.31Å; Q990-R992 PolarHBondContact O-N 3.21Å; R992-K994 PolarHBondContact O-N 3.48Å
993G51.5Low57.2Low49 Ų49116.1 Ų116.151%0.50557%0.565SS.*THydrogen-bonded Turntrans67.210.6179.900000114.9L989 Q990 Y991L989-G993 PolarHBondContact O-N 3.4Å; L989-G993 VanDerWaalsContact O-N 3.17Å; Q990-G993 PolarHBondContact O-N 2.88Å; Y991-G993 VanDerWaalsContact C-N 3.32Å; Y991-G993 PolarHBondContact O-N 2.96Å
994K59.7Low54.5Low138 Ų138122 Ų12260%0.659%0.591SS**PPolyproline II helixtrans-92.3116.2179.3-70.2-172.8177.9-1750109.3L989 R992 F996L989-K994 HydrophobicContact CD2-CB 4.4Å; L989-K994 PolarHBondContact O-N 3.32Å; R992-K994 PolarHBondContact O-N 3.48Å; K994-F996 PolarHBondContact O-N 3.19Å
995K48.3Very low51.7Low163 Ų163124.5 Ų124.571%0.70960%0.604SS**PPolyproline II helixtrans-56.3123171.1-67-168.2177-171.70108.9S265 K997S265-K995 PolarHBondContact O-NZ 3.31Å; K995-K997 PolarHBondContact O-N 2.76Å; K995-K997 VanDerWaalsContact O-N 3.16Å
996F46.1Very low49.1Very low107 Ų107127.8 Ų127.847%0.46962%0.624SS.*PPolyproline II helixtrans-59.6119.4170.2-162.5-101000106.6L989 K994 D998L989-F996 HydrophobicContact CD1-CD2 3.52Å; L989-F996 HydrophobicContact CD1-CE2 3.91Å; K994-F996 PolarHBondContact O-N 3.19Å; F996-D998 PolarHBondContact O-N 2.74Å
997K43.6Very low46.5Very low195 Ų195130 Ų13085%0.84864%0.64SS**  trans-6791.1170.5-81.6-172.9176.2-1780106.7K995 R999K995-K997 PolarHBondContact O-N 2.76Å; K995-K997 VanDerWaalsContact O-N 3.16Å; K997-R999 PolarHBondContact O-N 3.49Å
998D38.7Very low44Very low116 Ų116135.3 Ų135.362%0.6266%0.655SS**  trans-56.5111.8169.5-93.4-25.4000107.7F996 K1000F996-D998 PolarHBondContact O-N 2.74Å; D998-K1000 VanDerWaalsContact C-N 3.32Å; D998-K1000 PolarHBondContact O-N 3.15Å
999R42.5Very low41.5Very low189 Ų189138.7 Ų138.771%0.71367%0.668SS**SBendtrans-76.296179.9-147.6168.1177.2178.8-5.8105.9K830 K997K830-R999 VanDerWaalsContact CE-CD 3.4Å; K997-R999 PolarHBondContact O-N 3.49Å
1000K34.1Very low39.5Very low188 Ų188142.2 Ų142.282%0.81769%0.694SS**SBendtrans65.6112.5-179.6-61.1-177.4175.8-175.50112.8D998D998-K1000 VanDerWaalsContact C-N 3.32Å; D998-K1000 PolarHBondContact O-N 3.15Å
1001S27.8Very low37.5Very low100 Ų100146.3 Ų146.370%0.69971%0.71SS**  trans-44.3138.5155.249.10000109.9
1002P29.5Very low35.3Very low88 Ų88142 Ų14257%0.57171%0.709SS**  trans-56.2141.717025.2-31.6000108.5K1004P1002-K1004 PolarHBondContact O-N 3.43Å
1003P28.5Very low33.5Very low120 Ų120140.6 Ų140.678%0.77972%0.723SS**  trans-57.8136163.327.2-29.9000106.8S1005P1003-S1005 PolarHBondContact O-N 2.92Å
1004K28.4Very low32.4Very low190 Ų190141.8 Ų141.883%0.82674%0.735SS**  trans-36.4123.4174.5-67.7171.1176.9174.50109.7P1002 T1006P1002-K1004 PolarHBondContact O-N 3.43Å; K1004-T1006 VanDerWaalsContact C-N 3.27Å; K1004-T1006 PolarHBondContact O-N 3.1Å
1005S24Very low30.9Very low111 Ų111138.2 Ų138.278%0.77674%0.738SS**  trans-57.898.6165.943.80000107.4P1003 E1007P1003-S1005 PolarHBondContact O-N 2.92Å; S1005-E1007 PolarHBondContact O-N 3.5Å; S1005-E1007 VanDerWaalsContact O-N 3.07Å
1006T25.1Very low30.2Very low106 Ų106138 Ų13865%0.6574%0.744SS**  trans-79.578.1163-51.30000104.8K1004 K1008K1004-T1006 VanDerWaalsContact C-N 3.27Å; K1004-T1006 PolarHBondContact O-N 3.1Å; T1006-K1008 HydrophobicContact CG2-CB 4.04Å; T1006-K1008 HydrophobicContact CG2-CD 4.08Å; T1006-K1008 HydrophobicContact CG2-CG 3.77Å; T1006-K1008 PolarHBondContact O-N 2.83Å
1007E23.6Very low29.5Very low168 Ų168139.5 Ų139.579%0.78576%0.757SS**  trans-73.868.7155.2-81.4-176.9166.700107.1S1005S1005-E1007 PolarHBondContact O-N 3.5Å; S1005-E1007 VanDerWaalsContact O-N 3.07Å
1008K24.9Very low29Very low175 Ų175132.9 Ų132.976%0.76174%0.739SS**  trans-81.9104.7143.9-77.6-176.1176.4-173.70104.1T1006 P1010T1006-K1008 HydrophobicContact CG2-CB 4.04Å; T1006-K1008 HydrophobicContact CG2-CD 4.08Å; T1006-K1008 HydrophobicContact CG2-CG 3.77Å; T1006-K1008 PolarHBondContact O-N 2.83Å; K1008-P1010 VanDerWaalsContact O-CD 3.26Å; K1008-P1010 WeakPolarHBondContact O-CD 3.28Å
1009Y22.2Very low28.8Very low195 Ų195132.9 Ų132.977%0.76574%0.738SS**  trans-56.7121154-95.3-94.1000107.3F1011Y1009-F1011 PolarHBondContact O-N 3.29Å
1010P25.9Very low28.2Very low116 Ų116129.2 Ų129.275%0.75373%0.732SS**  trans-85.9102162.127.9-15.3000107.4K1008 S1012K1008-P1010 VanDerWaalsContact O-CD 3.26Å; K1008-P1010 WeakPolarHBondContact O-CD 3.28Å; P1010-S1012 PolarHBondContact O-N 2.81Å
1011F27.3Very low28.1Very low203 Ų203127.3 Ų127.389%0.8972%0.719SS**  trans-77.197148.4-102.4-84.1000106.4Y1009Y1009-F1011 PolarHBondContact O-N 3.29Å
1012S25Very low28.2Very low112 Ų112128.9 Ų128.978%0.78371%0.714SS**  trans18098.4145.3-166.10000108.8P1010P1010-S1012 PolarHBondContact O-N 2.81Å
1013S25.8Very low28.6Very low123 Ų123126.7 Ų126.786%0.8670%0.699SS**  trans-117.1113148.1175.80000104.8
1014G29.9Very low28.6Very low74 Ų74129.4 Ų129.476%0.76371%0.706SS**  trans-58.2134.8179.800000111.7
1015G26.9Very low28.7Very low63 Ų63128.4 Ų128.465%0.64971%0.709SS**  trans-146.3108.1161.300000106.2N1017G1015-N1017 PolarHBondContact O-N 3.12Å
1016D35.3Very low29Very low158 Ų158132.4 Ų132.485%0.84571%0.707SS**  trans-64.595.7176.9-73.9-33.4000109.9
1017N30.1Very low29.6Very low140 Ų140128.6 Ų128.675%0.74969%0.689SS**  trans-134.8130.4166.6-77.2-35.7000109.4G1015 I1019G1015-N1017 PolarHBondContact O-N 3.12Å; N1017-I1019 PolarHBondContact O-N 3Å
1018A33.8Very low30.1Very low56 Ų56126.1 Ų126.146%0.46368%0.679SS.*PPolyproline II helixtrans-63.8131.7175.400000110.1
1019I35.2Very low30.6Very low115 Ų115121.3 Ų121.359%0.5966%0.66SS**EExtended strand (participates in β ladder)trans-102.8121.7-174.9-58.3176.2000108.9N1017 L1031N1017-I1019 PolarHBondContact O-N 3Å; I1019-L1031 PolarHBondContact O-N 2.87Å; I1019-L1031 VanDerWaalsContact O-N 3.12Å
1020L29.2Very low31Very low113 Ų113120.9 Ų120.959%0.59266%0.657SS**EExtended strand (participates in β ladder)trans-86119166.2-157.588.4000107.8I1028 W1030L1020-I1028 HydrophobicContact CD1-CG2 4.01Å; L1020-I1028 HydrophobicContact CD2-CG2 3.7Å; L1020-I1028 HydrophobicContact CG-CG2 3.65Å; L1020-W1030 HydrophobicContact CD1-CB 3.97Å; L1020-W1030 HydrophobicContact CD1-CG 3.99Å
1021R32.8Very low31.7Very low148 Ų148120 Ų12056%0.55865%0.645SS**EExtended strand (participates in β ladder)trans-118.1131.9-177-175.8-179.5178.1175.7-0.9110.1T1023 I1028 E1029R1021-T1023 HydrophobicContact CG-CG2 4.41Å; R1021-I1028 CarbonylContact O-C 3.59Å; R1021-E1029 PolarHBondContact N-O 3.4Å; R1021-E1029 PolarHBondContact O-N 3.44Å
1022F28.7Very low32Very low132 Ų132117.7 Ų117.758%0.57964%0.637SS**EExtended strand (participates in β ladder)trans-106.9136.7170.7-178.9-106.3000110.9G1027 I1028F1022-G1027 WeakPolarHBondContact CA-O 3.22Å; F1022-G1027 WeakPolarHBondContact CD2-O 3.23Å; F1022-I1028 HydrophobicContact CB-CG1 4.36Å; F1022-I1028 HydrophobicContact CD2-CB 4.29Å; F1022-I1028 HydrophobicContact CD2-CG1 3.42Å; F1022-I1028 VanDerWaalsContact CD2-CG1 3.42Å; F1022-I1028 HydrophobicContact CE2-CG1 4.12Å; F1022-I1028 HydrophobicContact CG-CG1 4.29Å
1023T37.4Very low32.4Very low42 Ų42116.5 Ų116.526%0.25863%0.627SS.*EExtended strand (participates in β ladder)trans-137.5142.416960.20000111.7R1021 L1025 R1026 G1027R1021-T1023 HydrophobicContact CG-CG2 4.41Å; T1023-L1025 PolarHBondContact O-N 3.41Å; T1023-L1025 VanDerWaalsContact O-N 3.09Å; T1023-R1026 PolarHBondContact O-N 3.41Å; T1023-G1027 PolarHBondContact N-O 2.87Å; T1023-G1027 PolarHBondContact O-N 2.95Å
1024L29.2Very low32.6Very low178 Ų178119.3 Ų119.393%0.93263%0.626SS**THydrogen-bonded Turntrans-62.2-16.9-177.4-91151.5000114.6
1025L30.2Very low32.5Very low168 Ų168127.6 Ų127.688%0.8864%0.635SS**THydrogen-bonded Turntrans-97.5-16.3-179.5-126.5140.6000113.4T1023T1023-L1025 PolarHBondContact O-N 3.41Å; T1023-L1025 VanDerWaalsContact O-N 3.09Å
1026R29.9Very low32.6Very low196 Ų196132.8 Ų132.874%0.7464%0.642SS**THydrogen-bonded Turntrans-140.6-2.7-175.6-67.5-165.3176.6-145.6-1.7116.7T1023 E1029T1023-R1026 PolarHBondContact O-N 3.41Å; R1026-E1029 WeakPolarHBondContact CB-OE1 3.41Å; R1026-E1029 WeakPolarHBondContact CD-OE1 3.16Å
1027G38.3Very low32.3Very low26 Ų26130.2 Ų130.227%0.26864%0.643SS.*EExtended strand (participates in β ladder)trans84.3-158.7179.400000114.2F1022 T1023F1022-G1027 WeakPolarHBondContact CA-O 3.22Å; F1022-G1027 WeakPolarHBondContact CD2-O 3.23Å; T1023-G1027 PolarHBondContact N-O 2.87Å; T1023-G1027 PolarHBondContact O-N 2.95Å
1028I33.5Very low32.2Very low115 Ų115131.2 Ų131.259%0.5965%0.646SS**EExtended strand (participates in β ladder)trans-83.9115.8178.6-57.7175.1000108.3L1020 R1021 F1022L1020-I1028 HydrophobicContact CD1-CG2 4.01Å; L1020-I1028 HydrophobicContact CD2-CG2 3.7Å; L1020-I1028 HydrophobicContact CG-CG2 3.65Å; R1021-I1028 CarbonylContact O-C 3.59Å; F1022-I1028 HydrophobicContact CB-CG1 4.36Å; F1022-I1028 HydrophobicContact CD2-CB 4.29Å; F1022-I1028 HydrophobicContact CD2-CG1 3.42Å; F1022-I1028 VanDerWaalsContact CD2-CG1 3.42Å; F1022-I1028 HydrophobicContact CE2-CG1 4.12Å; F1022-I1028 HydrophobicContact CG-CG1 4.29Å
1029E35.6Very low31.8Very low75 Ų75134 Ų13435%0.3566%0.662SS.*EExtended strand (participates in β ladder)trans-110.6131.4176.2-68.3-179.4165.200110.1R1021 R1026R1021-E1029 PolarHBondContact N-O 3.4Å; R1021-E1029 PolarHBondContact O-N 3.44Å; R1026-E1029 WeakPolarHBondContact CB-OE1 3.41Å; R1026-E1029 WeakPolarHBondContact CD-OE1 3.16Å
1030W32.2Very low31.4Very low186 Ų186133.5 Ų133.571%0.70567%0.669SS**EExtended strand (participates in β ladder)trans-98.2113175.3-168.218.9000109.2L1020L1020-W1030 HydrophobicContact CD1-CB 3.97Å; L1020-W1030 HydrophobicContact CD1-CG 3.99Å
1031L39.4Very low31.3Very low96 Ų96135.1 Ų135.150%0.50368%0.684SS.*EExtended strand (participates in β ladder)trans-96.8105.2178.7-70.1167.2000109.4I1019I1019-L1031 PolarHBondContact O-N 2.87Å; I1019-L1031 VanDerWaalsContact O-N 3.12Å
1032Q34.3Very low31.1Very low156 Ų156135.9 Ų135.973%0.72969%0.693SS**  trans-85.2136.8170.6-158.6172.719.600109.3Q1034Q1032-Q1034 PolarHBondContact O-N 2.93Å; Q1032-Q1034 VanDerWaalsContact O-N 3.09Å
1033P32.7Very low31Very low87 Ų87135.9 Ų135.957%0.56570%0.699SS**  trans-64.1114.9178.5-1729000110.4R1035P1033-R1035 PolarHBondContact O-N 2.63Å
1034Q30.8Very low30.5Very low182 Ų182139.1 Ų139.185%0.8572%0.724SS**  trans-70.5107.9172.7-166172.3-8.700108Q1032 E1036Q1032-Q1034 PolarHBondContact O-N 2.93Å; Q1032-Q1034 VanDerWaalsContact O-N 3.09Å; Q1034-E1036 PolarHBondContact O-N 3.04Å; Q1034-E1036 VanDerWaalsContact O-N 3.11Å
1035R28.3Very low30.4Very low248 Ų248136.5 Ų136.594%0.93672%0.721SS**  trans-66.9104.2168.9-83.7-176.6175.8173.3-0.8108.3P1033 A1037P1033-R1035 PolarHBondContact O-N 2.63Å; R1035-A1037 PolarHBondContact O-N 2.72Å
1036E28.3Very low30.2Very low171 Ų171134.1 Ų134.180%0.79972%0.718SS**  trans-72.1120.6158.7-77-176.1165.200108.6Q1034 I1038Q1034-E1036 PolarHBondContact O-N 3.04Å; Q1034-E1036 VanDerWaalsContact O-N 3.11Å; E1036-I1038 PolarHBondContact O-N 2.8Å
1037A28.4Very low30Very low104 Ų104130.6 Ų130.686%0.8672%0.723SS**  trans-65.2111178.400000110.3R1035R1035-A1037 PolarHBondContact O-N 2.72Å
1038I27.7Very low29.4Very low161 Ų161136.2 Ų136.283%0.82675%0.747SS**  trans-85.2114.2161.7-63.4170.2000106.5E1036 S1040E1036-I1038 PolarHBondContact O-N 2.8Å; I1038-S1040 PolarHBondContact O-N 3.1Å
1039S26.8Very low29.1Very low114 Ų114138.2 Ų138.280%0.79776%0.758SS**  trans-60.2120.6169.443.90000110.1
1040S25.8Very low28.6Very low106 Ų106140.9 Ų140.974%0.74178%0.78SS**  trans-69.8135.9171.253.30000111.4I1038I1038-S1040 PolarHBondContact O-N 3.1Å
1041V26.7Very low28.3Very low147 Ų147140.6 Ų140.689%0.89179%0.786SS**  trans-147.9116.5135.3-176.30000110.1
1042Q29.2Very low28.3Very low164 Ų164140.9 Ų140.977%0.76679%0.794SS**  trans-103.9143.9156.7-114.5-174.8-7.200108.1
1043N27Very low27.8Very low131 Ų131144 Ų14470%0.70180%0.799SS**  trans66.7126.3144.2-58.4-16.8000121.7
1044S26.1Very low27.5Very low110 Ų110146.5 Ų146.577%0.76981%0.807SS**  trans-30.9139.5158.640.50000118.1
1045S26.2Very low27.3Very low124 Ų124143.5 Ų143.587%0.86780%0.8SS**  trans-166.8144.7136.1-74.30000111.6
1046S26.6Very low27.3Very low117 Ų117137.6 Ų137.682%0.81879%0.792SS**  trans-58.4142.3179.450.70000116.8
1047S26.8Very low27.1Very low122 Ų122135.2 Ų135.285%0.85379%0.794SS**  trans-158.1151139.8590000111.4
1048N24.9Very low27.1Very low144 Ų144134.5 Ų134.577%0.7779%0.788SS**  trans-76.6168.4-161.2-67.7-49.2000116
1049L26.6Very low27.2Very low157 Ų157134.1 Ų134.182%0.82279%0.787SS**  trans71.8127.6165.1-63.4117.6000113.9
1050T26.4Very low27.1Very low132 Ų132137 Ų13781%0.8179%0.788SS**  cis-166.7144.938.1-24.80000108.2
1051Q25.7Very low27.2Very low180 Ų180138.3 Ų138.384%0.84179%0.786SS**  trans-62174.3166-79.7-168.5-10.900111.9
1052P38.2Very low27Very low101 Ų101139.3 Ų139.366%0.65678%0.781SS**  cis-151.3178.124.944.3-23000120.1
1053R24.4Very low28.1Very low223 Ų223136.8 Ų136.884%0.84278%0.778SS**  trans85.3136.8155-63.4-177178.7177.7-0.7118.7
1054L25.9Very low28.1Very low139 Ų139137.5 Ų137.573%0.72879%0.787SS**  cis-168.9137.3-1.5-105.6156.7000109
1055V26.6Very low28.2Very low118 Ų118141.4 Ų141.472%0.71579%0.793SS**  trans63.1117.6140.91760000119.8
1056V28.8Very low28.2Very low124 Ų124139.1 Ų139.175%0.75279%0.789SS**  cis89.412048.2174.50000114.4
1057S24Very low28.2Very low121 Ų121141.6 Ų141.685%0.84679%0.788SS**  177.4139.1118.8-87.40000114
1058A28.9Very low28.3Very low90 Ų90143.3 Ų143.374%0.74478%0.78SS**  trans-133.7155.4168.500000108.5
1059L29Very low28.5Very low153 Ų153143.4 Ų143.480%0.80178%0.779SS**  trans157.9141.5157.2-92.9150000108.5
1060Q25.8Very low28.5Very low175 Ų175140.4 Ų140.482%0.81877%0.772SS**  cis-169.113547-111.8161-8.800109.2
1061L27.7Very low28.5Very low132 Ų132144.1 Ų144.169%0.69177%0.773SS**  53.2100.395.3-70.5167.9000118.5
1062H22.2Very low28.7Very low169 Ų169142.2 Ų142.278%0.78277%0.773SS**  92.5165.6104.7-86.119000116.4
1063P53.3Low28.4Very low111 Ų111145.8 Ų145.872%0.72178%0.778SS**  -132.1-174-59.637.9-18.6000112.8
1064V26.4Very low28.9Very low145 Ų145142.1 Ų142.188%0.87977%0.769SS**  trans168.3146.8144.4156.90000113.9
1065Q27.8Very low29.4Very low192 Ų192142.9 Ų142.990%0.89777%0.769SS**  trans-68160.8-177.3-72165.8-44.100117.4
1066G25.8Very low29.7Very low76 Ų76147 Ų14778%0.78478%0.777SS**  trans157.4107146.600000118.4
1067Q27.6Very low30Very low170 Ų170154.2 Ų154.279%0.79480%0.798SS**  trans-3.6152147-75.3179.66.100119
1068K27.8Very low30.3Very low157 Ų157155.9 Ų155.968%0.68380%0.796SS**  cis178.2156.531.2-125167.1-179.3171.30110.5
1069L29.5Very low30.4Very low146 Ų146159.3 Ų159.376%0.76480%0.798SS**  trans68.7143145.9-72.5153.4000119.4
1070S26.2Very low30.5Very low95 Ų95159.7 Ų159.766%0.66480%0.798SS**  cis-165.91359.642.90000112.5
1071Y27.9Very low30.8Very low210 Ų210158.8 Ų158.882%0.82480%0.797SS**  14.1139.3128.2-84.6-95.8000118.6
1072T28.9Very low30.9Very low140 Ų140160.4 Ų160.486%0.85980%0.804SS**  -158.6147.568.535.20000115.7
1073K32.9Very low31.5Very low175 Ų175159.9 Ų159.976%0.76181%0.805SS**  trans-83.8157.3168.7-111.3175.4178.3171.90111.7
1074K34.5Very low30Very low147 Ų147163.4 Ų163.464%0.63981%0.811SS**  trans86.6123.6134.6-84.5178.9166.1-109.60122.9
1075E35.9Very low30.2Very low155 Ų155164.8 Ų164.872%0.72481%0.806SS**  75.4109.1127.9-77.4165.8-170.800121.9
1076K32.7Very low30.5Very low203 Ų203162.5 Ų162.588%0.88380%0.798SS**  trans-170.9129.1131.7-95.1170.1-174.8177.40104
1077K35.8Very low30.9Very low276 Ų276170.4 Ų170.4100%1.280%0.8SS**  cis-154.8021-116.8178.6177.7-179.80108.1

Retrieved 1,077 of 1,077 residues in 1438.5 ms (Link to these results)

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